PHYS QUANTUM CHLTNC2007 7194 - (Thuvienvatly) PDF

1
M U
M U
Hc phn c hc lng t nng cao l mn hc bt buc i vi hc
vin cao hc chuyn ngnh Phng php Ging dy Vt l v chuyn ngnh
Vt l L thuyt-Vt l Ton, n nhm b sung v nng cao mt s kin thc
c hc lng t nh cc phng php tnh gn ng trong c hc lng t,
l thuyt tn x lng t, c hc lng t tng i tnh,... Cc kin thc
ny l c s hc vin tip thu cc kin thc v Vt l thng k, Vt l
cht rn, C s l thuyt trng lng t,...
Vi mc tiu nh trn, ni dung ca mn hc c xy dng trong 4
chng. Chng I khi qut li cc c s ca c hc lng t (c s ton hc,
cc tin ca c hc lng t, nguyn l bt nh Heisenberg, phng trnh
Schrdinger, s bin i theo thi gian ca gi tr trung bnh cc i lng
vt l,...). Chng II trnh by cc phng php gn ng gii phng
trnh Schrdinger thng c s dng trong c hc lng t. Chng III
trnh by l thuyt tn x lng t. Chng IV trnh by khi qut c hc
lng t tng i tnh, bao gm mt s phng trnh c bn (Phng trnh
Klein-Gordon, phng trnh Dirac, phng trnh Pauli,...), mt s khi nim
c bn (Mt xc sut tng i tnh v mt dng xc sut tng i
tnh, spin v mmen t ca ht vi m,...). Ngoi ra, cc hc vin cao hc
Vt l L thuyt -Vt l Ton cn c 15 tit kho st su hn v cu trc
cc trng thi nguyn t, l thuyt lng t v bc x, hiu ng Zeemann d
thng, cc trng thi nng lng m, tnh bt bin ca phng trnh Dirac.
gip hc vin nm chc cc kin thc ca mn hc, s thi gian
dnh cho hc vin rn luyn cc k nng vn dng v gii cc bi tp, xmine
chim 1/4 thi lng ca mn hc.
2
Mc lc
1 C s ca c hc lng t 4
1.1 C s ton hc ca c hc lng t . . . . . . . . . . . . . . . 4
1.1.1 Ton t: . . . . . . . . . . . . . . . . . . . . . . . . . . 4
1.1.2 Cc php tnh trn ton t . . . . . . . . . . . . . . . . 5
1.1.3 Hm ring, tr ring v phng trnh tr ring ca ton
t . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6
1.1.4 Ton t t lin hp tuyn tnh (ton t hermitic) . . . 6
1.1.5 Cc tnh cht ca ton t hermitic . . . . . . . . . . . 8
1.2 Cc tin ca c hc lng t . . . . . . . . . . . . . . . . . 9
1.2.1 Tin 1: Trng thi v thng tin . . . . . . . . . . . 9
1.2.2 Tin 2: Cc i lng ng lc . . . . . . . . . . . . 9
1.2.3 Tin 3: Php o cc i lng ng lc . . . . . . . 10
1.2.4 Gi tr trung bnh ca bin s ng lc . . . . . . . . . 11
1.2.5 Tnh h s phn tch ci . . . . . . . . . . . . . . . . . . 11
1.3 S o ng thi hai i lng vt l . . . . . . . . . . . . . . . 12
1.3.1 S o chnh xc ng thi hai i lng vt l . . . . . 12
1.3.2 Php o hai i lng ng lc khng xc nh ng
thi. Nguyn l bt nh Heisenberg. . . . . . . . . . . 13
1.4 Phng trnh Schrdinger . . . . . . . . . . . . . . . . . . . . 15
1.4.1 Phng trnh Schrdinger ph thuc thi gian . . . . . 15
1.4.2 Mt dng xc sut. S bo ton s ht . . . . . . . 16
1.4.3 Phng trnh Schrdinger khng ph thuc thi gian.
Trng thi dng. . . . . . . . . . . . . . . . . . . . . . 17
1.5 S bin i theo thi gian ca cc i lng ng lc . . . . . 19
1.5.1 o hm ca ton t ng lc theo thi gian . . . . . 19
2 Mt s phng php gn ng trong c hc lng t 22

2.1 Nhiu lon dng trong trng hp khng suy bin . . . . . . . 23
2.2 L thuyt nhiu lon dng trong trng hp c suy bin . . . 26
C hc lng t nng cao Ch.1: C s ca c hc lng t 3
2.2.1 L thuyt nhiu lon khi c hai mc gn nhau . . . . . 26

2.2.2 L thuyt nhiu lon dng khi c suy bin: . . . . . . . 31
2.3 Hiu ng Stark trong nguyn t Hydro . . . . . . . . . . . . . 35
2.4 Nhiu lon ph thuc thi gian . . . . . . . . . . . . . . . . . 39
2.5 S chuyn di lng t ca h vi m sang cc trng thi mi
di nh hng ca nhiu lon . . . . . . . . . . . . . . . . . 42
2.6 Nguyn t Hli . . . . . . . . . . . . . . . . . . . . . . . . . . 44
2.7 Phng php trng t hp Hartree-Fok . . . . . . . . . . . . 48
2.7.1 Nguyn l bin phn . . . . . . . . . . . . . . . . . . . 48
2.7.2 Phng php trng t hp Hartree-Fok . . . . . . . . 52
3 L thuyt tn x lng t 57
3.1 Bin tn x v tit din tn x . . . . . . . . . . . . . . . . 57
3.1.1 Tit din tn x . . . . . . . . . . . . . . . . . . . . . . 57
3.1.2 Bin tn x . . . . . . . . . . . . . . . . . . . . . . 59
3.1.3 Tn x n hi ca cc ht khng c spin . . . . . . . 60
3.2 Tn x n hi trong php gn ng Born . . . . . . . . . . . 65
3.3 Phng php sng ring phn . . . . . . . . . . . . . . . . . . 68
4 C hc lng t tng i tnh 74

4.1 Phng trnh Klein-Gordon (K-G) . . . . . . . . . . . . . . . 75
4.2 Phng trnh Dirac . . . . . . . . . . . . . . . . . . . . . . . . 76
4.3 Mt xc sut v mt dng xc sut trong l thuyt Dirac 81
4.4 Nghim ca phng trnh Dirac i vi ht chuyn ng t do 83
4.5 Spin ca ht c m t bng phng trnh Dirac . . . . . . . 85
4.6 Chuyn t phng trnh Dirac sang phng trnh Pauli. M-
men t ca ht. . . . . . . . . . . . . . . . . . . . . . . . . . . 87
4
Chng 1
C s ca c hc lng t
1.1 C s ton hc ca c hc lng t

1.1.1 Ton t:
a) nh ngha: Ton t l mt php ton tc dng vo mt hm ny th
bin i thnh mt hm khc.
Ta gi A l mt ton t nu
A(x) = (x). (1.1)
V d: Cc ton t :
+ Php nhn vi x2
A(x) = x2 (x),
trong trng hp ny A ph thuc bin s x.
+ Php ly o hm vi bin s x:
d(x)
A(x) =
dx
+ Php nhn vi mt s phc C:
A(x) = C(x),
y, A khng ph thuc vo bin x v php ly o hm theo x. c bit
nu:
C =0 : A(x) = 0, A l ton t khng,
C =1 : A(x) = (x), A l ton t n v.
+ Php ly lin hip phc:
A(x) = (x).
b) Ton t tuyn tnh: Ton t A c gi l ton t tuyn tnh nu n

tho mn tnh cht sau:
A(c1 1 + c2 2 ) = c1 A1 + c2 A2 . (1.2)
Trong h thc trn, 1 v 2 l hai hm bt k, c1 v c2 l hai hng s
bt k.
V d: A = (d/dx) l ton t tuyn tnh v
d d1 d2
(c11 + c2 2 ) = c1 + c2 .
dx dx dx
Cn ton t ly lin hip phc khng phi l ton t tuyn tnh v
A(c1 1 + c2 2 ) = (c11 + c2 2 ) = c1 1 + c2 2 = c1 A1 + c2 A2
6= c1 A1 + c2 A2 .
1.1.2 Cc php tnh trn ton t

Cho ba ton t A, B, C. ta nh ngha cc php tnh ton t sau:
a) Tng hai ton t: S c gi l tng ca hai ton t A, B, k hiu
l
S A + B nu (x), S(x) = A(x) + B(x). (1.3)
b) Hiu hai ton t: D c gi l hiu hai ton t A, B, k hiu
D A B nu (x), D(x) = A(x) B(x). (1.4)
c) Tch hai ton t: P AB l tch ca hai ton t A v B nu

P (x) = (AB)(x) = A B(x) . (1.5)
Tch ca hai ton t ni chung l khng giao hon, ngha l AB 6= B A.

Chng hn, cho
d
A = , B = x
dx
th ta c
d d(x)
AB(x) = (x(x)) = (x) + x ,
dx dx
cn
d(x) d(x)
B A(x) = x 6= AB(x) = (x) + x ,
dx dx
r rng B A 6= AB, nn A, B khng giao hon nhau.

Nu A = x2 , B = x th
AB(x) = x3 (x) = B A(x)
hai ton t A, B giao hon nhau.

d) Giao hon t ca hai ton t A v B c nh ngha l [A, B]
AB B A. Nu A v B giao hon th AB = B A, do giao hon t ca
chng bng khng, ngha l [A, B] = 0. Nu hai ton t khng giao hon th
[A, B] = AB B A 6= 0 hay [A, B] 6= 0.
1.1.3 Hm ring, tr ring v phng trnh tr ring ca ton t

Xt mt ton t A, khi cho A tc dng ln mt hm (x) no , ta c
th thu c chnh hm nhn vi mt hng s:
A(x) = a(x). (1.6)
(1.6) l mt phng trnh, dng ca (x) c th thu c t vic gii phng

trnh trn.
Ta bo (x) l hm ring vi tr ring a ca ton t A. V vic gii
phng trnh (1.6) c th cho ta bit cc hm ring v tr ring ca ton t
A. Nu c s hm ring c cng mt tr ring a, th ta bo ton t A c tr
ring suy bin bc s. Cc tr ring c th bin thin gin on hoc lin tc.
Trong c hc lng t, hm ring phi tho mn cc iu kin chun
sau:
- Hm (x) phi tn ti, xc nh trn ton min bin thin ca cc
bin c lp.
- Trong min tn ti, hm (x) v o hm bc nht ca n d(x)/dx
phi hu hn, lin tc (tr mt s im c bit).
- Hm (x) phi xc nh n tr
1.1.4 Ton t t lin hp tuyn tnh (ton t hermitic)

Ton t tuyn tnh A+ c gi l ton t lin hp tuyn tnh vi ton
t tuyn tnh A nu:
Z Z
1 (x), 2 (x), 1 (x)A2 (x)dx = +
A 1 (x) 2(x)dx. (1.7)
V V
Nu A+ = A th ta bo A l ton t t lin hp tuyn tnh, hay ton

t hermitic, ngha l:
Z Z

1 (x)A2(x)dx = A1 (x) 2 (x)dx. (1.8)
V V
Nu ta a ra k hiu mi v tch v hng hai hm sng
Z
h1 (x)|2(x)i = 1 (x)2(x)dx, (1.9)
V
theo (1.8) c vit li nh sau:
h1 (x)|A2 (x)i = hA1 (x)|2(x)i.

V d 1: A = (d/dx) c phi l ton t hermitic khng?
Mun bit, ta tnh
Z + Z +
d
Adx = dx.
dx
t u = , dv = (d/dx).dx, th
Z + Z +
d
Adx = |x=+
x= dx,
dx
v cc hm (x), (x) 0 khi x nn |x=+

x= = 0,
Z + Z + Z + Z +
d d
Adx = dx 6= dx = A dx.
dx dx
Vy A = (d/dx) khng phi l ton t hermitic.

V d 2: A = i(d/dx) c phi l ton t hermitic khng?
Ta c:
Z + Z + Z +
Z +
d d d
Adx = i dx = i dx = i dx,
dx dx dx
Z + Z +
Adx = A dx.

Vy A = i(d/dx) l ton t hermitic.

1.1.5 Cc tnh cht ca ton t hermitic

a) Tr ring ca ton t hermitic l s thc.
Gi thit ton t hermitic A c tr ring gin on vi phng trnh
tr ring
An = ann .
Ta c: hn |An i = hAn |ni v A hermitic, ngha l:
an hn |n i = ahn |ni = (an an)hn |n i = 0.

V hn |n i 6= 0 nn an = an : an l s thc.
b) Hm ring tng ng vi hai tr ring phn bit th trc giao vi
nhau.
Thc vy, theo nh ngha ca ton t hermitic th:
h1 |A2 i = hA1 |2 i = a2h1 |2 i = a1h1 |2 i, = (a2 a1)h1 |2 i = 0,
v a2 6= a1 nn (a2 a1) 6= 0. Vy:
h1 |2 i = 0 : 1 , 2 trc giao vi nhau.
Tm li, nu cc hm ring ca ton t hermitic A c chun ho th

ta c:
Ph tr ring gin on : hm |n i = mn , (1.10)

Ph tr ring lin tc : ha0 |ai = (a0 a). (1.11)
Trong , mn , (a0 a) l cc hm Dirac.
c) Cc hm ring ca ton t hermitic lp thnh mt h hm c s
trc giao v trong khng gian Hilbert cc hm sng, ngha l vi mt hm
sng bt k (x) trong khng gian Hilbert, ta c:
X
i vi ph tr ring gin on : (x) = cn n (x). (1.12)
n
Z
i vi ph tr ring lin tc : (x) = ca a (x)da. (1.13)
a
1.2 Cc tin ca c hc lng t

Trong c hc lng t, ht khng c hnh dung nh l mt cht im
chuyn ng theo mt qu o xc nh m n c hnh dung nh l mt
b sng nh x trong mt min ca khng gian ti mt thi im v b sng
thay i theo thi gian. Ti mt thi im ta ch c th ni v xc sut
tm thy ht trong mt phn t th tch ca khng gian, hay ni khc i l
xc xut to ca ht c gi tr nm trong khong no . Ni chung
v cc bin s ng lc khc cng vy, ta ch c th ni v xc sut mt
bin s ng lc c gi tr nm trong khong no ch khng th ni v
gi tr xc nh ca bin s ng lc ti mt thi im nh trong c hc c
in.
V c s khc bit ni trn nn trong c hc lng t bin s ng lc
khng phi c m t bng mt s nh trong c hc c in. Chng ta phi
tm mt cch m t khc th hin c nhng c tnh ca cc quy lut
lng t. Nhng nghin cu v ton t cho thy c th dng cng c ton
hc ny m t bin s ng lc trong c hc lng t. Chng ta tha nhn
mt s gi thit v ni dung cch m t nh nhng tin . Nhng tin
y khng c mu thun nhau v cho cc kt qu ph hp vi thc nghim.
1.2.1 Tin 1: Trng thi v thng tin

" Trng thi vt l ca mt h lng t th tng ng vi mt hm sng
chun ho."
Ta k hiu (x, t) l hm sng ca h lng t thi im t v ti v
tr to x ( hay ng vi bin ng lc x).
Hm sng c chun ho khi
Z
h(x, t)|(x, t)i = (x, t) (x, t)dx = 1. (1.14)
V
Nh vy, (x, t) v c(x, t) cng chung mt trng thi nu c c = |c|2 =

1.
1.2.2 Tin 2: Cc i lng ng lc

" Tng ng vi mt i lng ng lc A trong c hc lng t l mt
ton t hermitic A."
V gi tr bng s ca bin ng lc l thc nn tr ring ca ton t

tng ng vi bin ng lc phi thc, do ton t tng ng vi bin
ng lc phi hermitic. Ton t A hermitic nn c mt h cc vect ring
trc giao chun ho {i (x, t)} tng ng vi ph cc tr ring thc {ai },
i = 1, 2, ..., n. Theo , mt trng thi bt k ca h lng t s c khai
trin theo cc hm ring nh sau:
n
X
(x, t) = ci i (x, t). (1.15)
i=1
1.2.3 Tin 3: Php o cc i lng ng lc

Nu h lng t trng thi biu din bi hm sng (x) th xc
sut khi o bin ng lc A thu c gi tr ai s l |ci |2 = pi . R rng
n
X n
X
pi = |ci |2 = 1 (1.16)
i=1 i=1
c suy t tnh cht trc giao, chun ho ca cc hm ring.

Nh vy php o lm nhiu lon trng thi. Nu (x) = i (x), ta c
A(x) = Ai (x) = ai i (x) vi xc sut |ci |2 = pi = 1.
Ch rng theo tin 3 th

(i) Khng th tin on chnh xc kt qu php o mt i
lng ng lc ca h vi m c trng thi (x) hon ton xc nh.
(ii) Nu tin hnh hai php o ring bit nhng ging nhau trn
cng mt h c trng thi ban u trc mi ln o l (x) hon ton ging
nhau th kt qu hai ln o ny khng nht thit phi trng nhau.
Ta chp nhn tnh khng tin on c v tnh khng ng nht
ca qu trnh o nh l mt thuc tnh vn c ca t nhin.
Trong trng hp ph tr ring lin tc th
Z
(x) = c(a)a (x)da (1.17)
a
v xc sut dW (a) i lng A c gi tr trong khong t a n a + da l
dW (a) = |c(a)|2da. (1.18)

1.2.4 Gi tr trung bnh ca bin s ng lc

Xt bin s ng lc A c ton t hermitic tng ng A, tr trung bnh
A ca n trng thi (x) ng vi trng hp ph tr ring gin on {ai }
Xn n
X Z
A= pi ai = ai |ci |2 = (x)A(x)dx (1.19)
i=1 i=1 V
v Z Z XX

(x)A(x)dx = ci i (x)Acj j (x)dx
V V i j
XX Z
= ci cj i (x)Aj (x)dx
i j V
XX Z
= ci cj aj i (x)j (x)dx
i j V
XX
= ci cj aj ij
i j
X
= |ci |2 ai .
i
Trng hp ph tr ring lin tc, ta c

Z Z
A = adW (a) = |c(a)|2ada
a a
1.2.5 Tnh h s phn tch ci

Theo tin 3, mun tnh xc sut o A c gi tr ai th ta phi
xc nh cho c h s phn tch ci . Mun vy, ta nhn lng lin hip phc
ca hm ring i (x) l i (x) vi hm sng (x) ri ly tch phn theo bin
s x, ta c
Z XZ X

i (x)(x)dx = i (x)ck k (x)dx = ck ik = ci , (1.20)
V k V k
gi tr ny ca ci hon ton xc nh vi sai km hng s nhn.

1.3 S o ng thi hai i lng vt l

1.3.1 S o chnh xc ng thi hai i lng vt l
Xt hai bin s ng lc L v M c biu din bi hai ton t L v
M. H trng thi c biu din bi hm sng m y cho rm
r ta hiu ngm l hm theo bin s x. Chng ta s xt trong iu kin no
hai bin ng lc c th o c chnh xc ng thi. Theo tin 3, mun
cho bin ng lc L c gi tr xc nh th = L,k l hm ring ca L ng
vi tr ring Lk . Ngha l
L = LL,k = Lk L,k .
Ta o ng thi i lng M vi L, tc l lc h trng thi = L,k .

Mun cho M cng c gi tr xc nh Mk th phi l hm ring ca M,
ngha l = M,k . Theo
M = MM,k = Mk M,k .
Nh vy, hai ton t L v M phi c chung hm ring:
= L,k = M,k .
y chnh l iu kin ng thi o c chnh xc hai i lng ng
lc L v M. V ta c th rt ra nh l sau:
iu kin t c v hai i lng ng lc o c ng thi l
ton t tng ng ca chng giao hon vi nhau.
Chng ta s chng minh nh l ny sau y.
a) iu kin t c: Nu L, M c chung hm ring k th hai ton t
L, M giao hon c vi nhau.
Ta c
LMk = L Mk = Mk Lk = Mk Lk k ,

M Lk = M Lk = Lk Mk = Lk Mk k .
Suy ra
LMk = M Lk ,
hay

LM M L k = 0 = LM M L = 0 = LM = M L.
R rng L v M giao hon vi nhau.

a) iu kin : Nu hai ton t giao hon th chng c chung hm
ring.
Gi l hm ring ca L, ngha l
L = L,

M L = M L = M (L) = L M .
V M v L giao hon nn

M L = LM = L M .
R rng M l mt hm ring ca ton t L vi tr ring L. Nh

vy, v u l hm ring ca L vi cng tr ring L. Khi khng c suy
bin th chng trng nhau, nhng v hm ring ca cc ton t hermitic c
xc ng sai km nhau mt hng s nhn nn
= hng s.,
hay M = hng s. = M., ngha l cng l hm ring ca ton t M.
1.3.2 Php o hai i lng ng lc khng xc nh ng thi.

Nguyn l bt nh Heisenberg.
Trong trng hp tng qut nu hai ton t L, M theo th t biu din
hai i lng ng lc L, M khng giao hon c vi nhau th khng th
o c chnh xc ng thi L v M. By gi ta xt xem nu o ng thi
hai bin ng lc y th chnh xc t n mc no.
Do L v M l nhng ton t hermitic khng giao hon c vi nhau
nn h i
L, M = iP , (1.21)
trong P l mt ton t hermitic, P 6= 0.

Gi L v M l tr trung bnh ca L v M trng thi (x). Xt
lch
L = L L; M = M M (1.22)
Nhng i lng ny theo th t c biu din bi cc ton t hermitic
d = L L;
L d = M M
M (1.23)
Ta c giao hon t
h i h i h i
d d
L, M = L L, M M = L, M = iP . (1.24)
Xt tch phn: Z
I() = d iM
| L d |2 dx 0 (1.25)
V
trong l mt thng s thc, tch phn ly trong ton b min bin thin
V ca x.
Z h i
I() = d d
(L iM) (L d iM)dx
d
V
Z
= d iM)
(L d + (Ld iM)dx
d
V
d = L
v tnh cht hermitic, L d + , M d + , do (L
d = M d iM)
d +=
d + iM,
L d nn
Z
I() =
L d + iM)(
d d iM
L d dx
V
Z h i
2 d2 d d d d d 2
I() = L i LM M L + M dx
V
Z ih
2 d2 d d d 2
I() = L i L, M + M dx
V
theo (1.24), th
Z
2 d2 d 2
I() = L + P + M dx, suy ra
V
I() = 2 L2 + P + M 2 0.
Mun cho I() 0 th tam thc bc hai theo trn phi c bit thc

2 2 2
= P 4 L M 0, ngha l
h i2

P2 L, M

L2 2
M hay L2 2
M . (1.26)
4 4
y l cng thc cho bt nh khi o ng thi hai bin ng lc

L v M, n c gi l h thc bt nh Heisenberg. t
p p
L = L , M = M 2 ,
2 (1.27)
h thc bt nh c th vit di dng khc

h i

L, M
P
L.M hay , L.M . (1.28)
2 2
V d: Nu chn L = x = x : ton t to ,

M = px = i~ : ton t xung lng theo phng x.
x
th
[x, px ] = i~,
suy ra h thc bt nh Heisenberg cho to v xung lng
~
x.px . (1.29)
2
Nh vy ta khng th ng thi o chnh xc to v xung lng ca
mt ht vi m. Sai s mc phi khi o tun theo h thc bt nh Heisenberg
(1.29).
ngha vt l: Vic khng o c chnh xc ng thi to v xung
lng ca ht vi m chng t rng n lng tnh sng ht. Ht vi m khng
c qu o xc nh. l mt thc t khch quan do bn cht ca s vt
ch khng phi v kh nng hiu bit s vt ca ta b hn ch hoc my o
km chnh xc. V h thc bt nh l biu thc ton hc ca lng tnh
sng ht ca ht vi m.
1.4 Phng trnh Schrdinger

1.4.1 Phng trnh Schrdinger ph thuc thi gian
Trong c hc lng t, do lng tnh sng ht ca cc i tng vi
m nn trng thi ca ht c c trng bi hm sng (~r, t).V vy, cn
c phng trnh m t din bin ca hm trng thi theo thi gian. Phng
trnh ny c Schrdinger a ra nm 1926 v c gi l phng trnh

Schrdinger ph thuc thi gian
(~r, t)
i~ = H(~r, t), (1.30)
t
trong H l Hamiltonian ca h
~2 2
H = T + U = + U (~r, t) (1.31)
2m
y l phng trnh vi phn hng hai theo khng gian v hng nht
theo thi gian. V nguyn tc tm nghim ca phng trnh, ta phi bit
t0 (iu kin u) v bit
c hm sng ti thi im c hai iu kin

bin lin quan n to (x0 , t0 ) = 0 , v d(x,t) = 00 .
dx x=x0
1.4.2 Mt dng xc sut. S bo ton s ht

n gin, ta s vit tt , theo th t thay cho (~r, t), (~r, t).
T phng trnh (1.30), ta suy ra phng trnh lin hip phc ca n

+
i~ = H H = H . (1.32)
t
Nhn cho hai v ca (1.30) v pha tri v nhn cho hai v ca (1.32)
cng v pha tri ri tr cho nhau v theo v, ta c

i~ + = H H . (1.33)
t t

Thay H = ~2 /2m 2 + U v lu (/t)( ) = (/t)+( /t),
ta c
~2
i~ ( ) = 2 2 , (1.34)
t 2m
m
( ) = + 2 2 ,
nn ta c th vit li (1.34) nh sau
i~
( ) + ( ) = 0. (1.35)
t 2m
t
= ||2 (1.36)
l mt xc sut tm thy ht to ~r ti thi im t. V
~j(~r, t) = i~ ( ) (1.37)
2m
l vect mt dng xc sut. ln ca ~j(~r, t) c ngha nh l dng ht
trung bnh qua mt n v din tch t vung gc vi phng chuyn ng
trong mt n v thi gian.
Theo phng trnh (1.35) c dng ca phng trnh lin tc m t
nh lut bo ton s ht vi m:

~j + = 0. (1.38)
t
1.4.3 Phng trnh Schrdinger khng ph thuc thi gian. Trng

thi dng.
Ta xt mt ht vi m chuyn ng trong trng th U (~r) khng bin
thin theo thi gian v do c nng lng khng thay i theo thi gian.
Gi E l gi tr nng lng ca ht v ta k hiu E (~r) l hm sng ng vi
trng thi c nng lng E. Ta c th vit phng trnh tr ring ca nng
lng nh sau
HE (~r) = EE (~r) (1.39)
vi H = (~2 /2m)2 + U (~r) nn ta c th vit (1.39) di dng khc:

~2 2
+ U (~r) E (~r) = EE (~r) (1.40)
2m
Trong trng hp ny hm sng E (~r, t) = E (~r).f (t) c vit di

dng phn ly bin s. Theo , phng trnh Schrdinger (1.30), vi lu H
khng ph thuc tng minh vo thi gian t, c vit li
f i~ f
t HE (~r)
E (~r)i~ = f (t)HE (~r) = = E,
t f (t) E (~r)
Nh vy, ta c hai phng trnh c lp

f
i~ = E.f (t), (1.41)
t
HE (~r) = E.E (~r). (1.42)
Phng trnh (1.41) cho ta nghim

i
f (t) = Ce ~ Et . (1.43)
Cn (1.42) chnh l phng trnh cho ta hm ring v tr ring ca ton t

nng lng. Gi s nng lng ca h c gi tr gin on En , n = 0, 1, 2, ...,
lc ta vit li (1.42) nh sau
Hn (~r) = En .n (~r). (1.44)
trong n (~r) l vit tt ca En (~r). Nh vy, nghim ring y ca ht

vi m ng vi trng thi dng c nng lng hon ton xc nh En l
i
n (~r, t) = n (~r)e ~ Ent . (1.45)
Nghim tng qut ca phng trnh Schrdinger trng thi dng

trong trng hp ph gin on
X i
X i
(~r, t) = cn e ~ Ent n (~r) = Cn (t)n(~r), vi Cn (t) cn e ~ Ent .
n n
(1.46)
Trng hp ph tr ring lin tc, hm sng c dng
Z Z
i i
(~r, t) = cE e ~ Et E (~r)dE = CE (t)E (~r)dE, vi CE (t) cE e ~ Et .
(1.47)
Cc h s cn , cE c th c xc nh t iu kin u.
Ni tm li, mt h lng t trng thi dng c cc tnh cht sau:
a) Hm sng ph thuc thi gian ca trng thi dng xc nh n tr
bi gi tr nng lng ca trng thi .
b) trng thi dng, mt xc sut v mt dng xc sut khng
ph thuc vo thi gian.
c) trng thi dng, tr trung bnh ca mt i lng ng lc c
ton t tng ng khng ph thuc r rt vo thi gian th khng i theo
thi gian.
d) Xc sut o gi tr ca mt i lng ng lc trng thi dng
khng ph thuc thi gian.
Nghim ca phng trnh Schrdinger khng ph thuc thi gian c
cc tnh cht c bn sau:
a) Hm (~r, t) phi n tr.
b) Hm (~r, t) phi lin tc. Trong trng hp th nng U (~r) gin

on th hm sng (~r, t) v o hm ca n vn lin tc ti nhng im
gin on . Tuy nhin, nhng min m th nng U th hm sng
v o hm ca n gin on.
c) Nu th nng U khng tin n v cng th hm sng (~r) phi hu
hn trong ton b khng gian. iu ny cng c tho mn trong trng
hp U ti mt im no nhng khng qu nhanh (U r1s , s 2).
1.5 S bin i theo thi gian ca cc i lng ng

lc
1.5.1 o hm ca ton t ng lc theo thi gian
Ta c tr trung bnh ca mt i lng ng lc L trng thi (x)
Z
L = (x)L(x)dx, (1.48)
trong x bao gm tt c cc bin s kh d v (x) c chun ho.

Ton t L c th ph thuc thi gian nn L cng c th ph thuc thi gian.
Ta tnh o hm ca tr trung bnh L theo thi gian
Z Z Z
dL L (x) (x)
= (x) (x)dx + L(x)dx + (x)L dx. (1.49)
dt t t t
Lu rng, theo phng trnh Schrdinger (1.30), ta c
(x) i (x) i
= H(x) v = H (x), (1.50)
t ~ t ~
do phng trnh (1.49) c th vit li
Z Z Z
dL L i i
= (x) (x)dx+ H (x) L(x)dx+ (x)L H(x) dx,
dt t ~ ~
Z Z Z
dL L i
= (x) (x)dx + H(x) L(x)dx (x)LH(x)dx ,
dt t ~
Z Z
dL L i
= (x) (x)dx + (x) H L LH (x)dx ,
dt t ~
Z ( )
dL L i h i
= (x) + H, L (x)dx. (1.51)
dt t ~
Ta nh ngha o hm ton t L theo thi gian dL/dt l ton t c
xc nh sao cho
Z !
dL dL dL
= = (x) (x)dx. (1.52)
dt dt dt
i chiu (1.52) vi (1.51), ta thu c cng thc ca o hm ton

t theo thi gian, c gi l phng trnh Heisenberg:
dL L i h i
= + H, L . (1.53)
dt t ~
Trong c hc c in, tch phn chuyn ng l mt i lng khng
thay i trong qu trnh chuyn ng. Trong c hc lng t cng c tch
phn chuyn ng, l khi (dL/dt) = 0, i lng L khng thay i theo
thi gian v l tch phn chuyn ng. Da vo phng trnh Heisenberg
(1.53), nu L l tch phn chuyn ng th
L i h i
+ H, L = 0. (1.54)
t ~
Trng hp c bit ng ch : khi L khng ph thuc tng minh
vo thi gian, ta c ( L/t) = 0, phng trnh (1.54) tr thnh
h i
H, L = 0, (1.55)
ngha l khi ton t L khng ph thuc r rt vo thi gian v giao hon

vi ton t nng lng H th i lng ng lc L tng ng l tch phn
chuyn ng.
Theo (1.52), nu L l tch phn chuyn ng th (dL/dt) = 0 hay
L = const.: tr trung bnh ca tch phn chuyn ng khng ph thuc thi
gian.
Ta c th chng minh xc sut p(Ln , t) tch phn chuyn ng L c
gi tr bng Ln khng ph thuc vo thi gian. Thc vy, L, H giao hon vi
nhau nn chng c hm ring chung n (x)
Ln (x) = Ln n (x) v Hn (x) = En n (x),
X i i
(x, t) = Cn (t)n (x), trong Cn (t) = cn e ~ Ent = Cn (0)e ~ En t .
n
Theo tin 3 ca c hc lng t
p(Ln, t) = |Cn (t)|2 = |Cn(0)|2 = const.
y l iu phi chng minh.

22
Chng 2
Mt s phng php gn ng trong

c hc lng t
Bi ton trong c hc lng t l gii phng trnh Schrdinger

~2 2
H = E + U (~r, t) = E
2m
tm nghim E v . Nghim chnh xc ca phng trnh ch c th tm

c trong mt s tng i nh cc trng hp n gin nht. S phc
tp ca vic gii phng trnh ph thuc vo dng ca th nng v s chiu
khng gian trong bi ton cn gii. Phn ln cc bi ton ca c hc lng
t dn ti nhng phng trnh rt phc tp v dng ton hc, v khng th
gii c chnh xc. Do phi ng dng nhng phng php gn ng
gii bi ton, ngha l phi tm mt cch gii gn ng cc hm ring v
tr ring ca n. Gn y, do c xut hin my tnh in t nn cc phng
php gii gn ng bng s cc bi ton c hc lng t c tm rt quan
trng.
Trong chng ny, chng ta s kho st mt phng php gn ng
thng c dng trong c hc lng t, l l thuyt nhiu lon. Thut
ng nhiu lon c vay mn trong thin vn hc ch nh hng ca
mt hnh tinh ny ln qu o ca mt hnh tinh khc. Ni dung ca phng
php nhiu lon ln lt c kho st nh sau.
Gi s Hamiltonian ca h vi m ang xt c dng
H = H0 + V , (2.1)
trong V l ton t hiu chnh nh (ton t nhiu lon) cho ton t khng
nhiu lon H0 . iu kin coi V l nh so vi H0 s ni sau. xc
(0)
nh, ta xt trng hp ph gin on. Gi thit bi ton tm hm ring n ,
C hc lng t nng cao Ch.2: Mt s phng php gn ng trong c hc lng t 23
(0)
tr ring En ca ton t khng nhiu lon H0 t phng trnh
H0 n(0) = En(0) n(0) (2.2)
c gii chnh xc. By gi cn phi tm nghim gn ng ca phng

trnh
H = H0 + V = E, (2.3)
ngha l phi tm cc biu thc gn ng cho cc hm ring n v cc tr

ring En ca ton t H .
2.1 Nhiu lon dng trong trng hp khng suy bin

Trong tit ny, gi thit tt c cc tr ring ca H l khng suy bin,
chng ta tm nghim ca (2.3) di dng khai trin theo cc hm ring trc
giao chun ho ca ton t H0
X (0)
= Ck k . (2.4)
k
Thay (2.4) vo (2.3), c xt n (2.2), ta thu c

X (0)
(0)
X (0)
Ck Ek + V k = Ck Ek .
k k
(0)
Nhn hai v ca ng thc mi tm c vi m v ly tch phn theo ton
min ca cc bin c lp, ng thi xt n tnh trc giao chun ho ca
(0)
cc hm k , th ta c
X
(0)
Cm E Em = Vmk Ck , m = 1, 2, 3, ... (2.5)
k
trong Z
(0) (0)
Vmk = m (x)V k (x)dx (2.6)
V
l phn t ma trn ca ton t nhiu lon c tnh theo cc hm sng ca
bi ton khng nhiu lon. H phng trnh (2.5) hon ton tng ng vi
phng trnh (2.3). N chnh l phng trnh Schrdinger trong biu din
nng lng. By gi, ta s dng gi thit coi ton t V l nh theo ngha l
cc mc nng lng v hm sng trong bi ton nhiu lon s gn vi cc gi
tr tng ng ca bi ton khng nhiu lon. V th, ta s tm chng di

dng chui vi tham s b 1.
En = En(0) + En(1) + 2 En(2) + ... (2.7)

(0) (1)
Cm = Cm + Cm + 2Cm(2)
+ ... (2.8)
v Vmn = vmn , V = v (2.9)

Chng ta tm hiu chnh cho mc nng lng th n v hm sng tng ng
ca bi ton nhiu lon. Ta xt gn ng cp khng, tc l khng nhiu lon
(0)
(V = 0), ta c H = H0 v = 0, hm sng n = n , ngha l
X (0) (0) (0)
n = n(0) = Ck k = n(0) = Ck = kn (2.10)
k
v E = En = En(0) , do En = En(0) + En(1) + 2 En(2) + .... (2.11)

Thay (2.10) v (2.11) vo (2.5) vi lu E = En , ta c

(1) 2 (2) (0) (0) (1) 2 (2)
mn + Cm + Cm + ... En Em + En + En + ... =
X
(1) 2 (2)
vmk kn + Ck + Ck + ... ,
k
(2.12)
Hay
h i
(0) (0) (1) (1) (0) (0)
mn En Em + mn En + Cm En Em vmn
" #
X (1)
+2 mn En(2) + Cm
(1) (1) (2)
En + Cm En(0) Em
(0)
vmk Ck + ... = 0.
k
Suy ra, ta c cc phng trnh

(1) (1) (0) (0)
mn En + Cm En Em vmn = 0, (2.13)
X (1)
mn En(2) + (1) (1)
Cm En + (2)
Cm En(0) (0)
Em vmk Ck = 0. (2.14)
k
Phng trnh (2.13) cho
Khi m = n, ta thu c En(1) = vnn , (2.15)

(1) vmn
Khi m 6= n, ta thu c Cm = (0) (0)
. (2.16)
En Em
Phng trnh (2.14) cho ta khi m = n
X X
(2) (1) (1) (1) (1)
En = Cn vnn En + vnk Ck = vnk Ck v theo (2.15) vnn = En(1) .
k6=n k6=n
Vn dng (2.15) v (2.16), ta suy ra

X vnk vkn X |vnk |2
(2)
En = (0) (0)
= (0) (0)
. (2.17)
k6=n E n E k k6=n E n E k
Cn khi m 6= n, (2.14) cho

X
(2) (0) (0) (1) (1) (1)
Cm En Em = Cm En + vmk Ck .
k
Lu (2.15) v (2.16), ta thu c

vnn vmn
(1)
Cn vmn X vmk vkn
(2)
Cm = 2 + (0) (0)
+ .
(0) (0) (0) (0) (0) (0)
En Em En Em k6=n En Em En Ek
(1) (2)
By gi ta tm gi tr ca Cn v Cn . Chng c th thu c t iu kin
chun ho c xt n (2.4)
Z X
(x)(x)dx = 1 |Ck |2 = 1. (2.18)
V k
Thay khai trin (2.7) v (2.8) vo (2.18), ta thu c

X (1) (2)
|kn + Ck + 2Ck |2 = 1.
k
X (1)

2 (2) (1) 2 (2)
kn + Ck + Ck kn + Ck + Ck = 1.
k
Xn
(1) (1)
h
(2) (2)

(1) 2
io
2
kn + kn Ck + Ck + kn Ck + Ck + |Ck | = 1.
k
Cn bng cc i lng cng cp b v tri v v phi s rt ra c

X (1)
(1) (1) (2) (2)
Cn + Cn = 0 v Cn + Cn + |Ck |2 = 0. (2.19)
k
T cc h thc (2.19), suy ra cc phn t o ca cc h s khai trin

(1) (2)
Cn , Cn l cc i lng tu . Do , khng hn ch tnh tng qut, ta c
th chn chng l thc v c gi tr
1 X (1) 2 1X |vkn |2
Cn(1) = 0 v Cn(2) = |Ck | = 2 . (2.20)
2 2 (0) (0)
k k6=n En Ek
(2)
Theo gi tr ca Cm tr thnh
vnn vmn X vmk vkn
(2) .
Cm = 2 + (2.21)
(0) (0) (0) (0) (0) (0)
En Em k6=n En Em En Ek
Nh vy nng lng ca h nhiu lon c vit n mc chnh xc

cp hai l
X |vnk |2
(0) 2
En = En + vnn + (0) (0)
, (2.22)
E
k6=n n E k
da vo (2.9), ta c
X |Vnk |2
En = En(0) + Vnn + (0) (0)
. (2.23)
k6=n En Ek
Cn hm sng nu vit n mc chnh xc cp mt s l

X vkn (0)
X Vkn (0)
n = n(0) + (0)

(0) k
= n
(0)
+ (0)
.
(0) k
(2.24)
k6=n En Ek k6=n En Ek
Biu thc (2.24) cho thy rng s hng hiu chnh cp mt tht s b nu
(0) (0)
(|Vkn|/|En Ek |) 1, ngha l iu kin v ton t V nh l
(0)
|Vkn| |En(0) Ek |, n 6= k. (2.25)
2.2 L thuyt nhiu lon dng trong trng hp c suy

bin
2.2.1 L thuyt nhiu lon khi c hai mc gn nhau
T cc cng thc (2.23) v (2.24), ta thy rng nu trong s cc tr
(0)
ring En ca H0 c hai mc nng lng gn bng nhau th cc hiu chnh
(0)
cho hm sng v cc mc nng lng En s ln v ta khng dng c cc
cng thc . Tuy nhin, nu s cc tr ring gn nhau ln cn mc n ca H0
khng nhiu th c th thay i phng php tnh sao cho c trong trng
hp ny vn c th kh c s xut hin cc s hiu chnh ln. Chng ta
ch xt trong trng hp n gin l c hai mc nng lng gn nhau.
(0) (0)
Gi s H0 c hai tr ring E1 v E2 gn nhau, tng ng vi cc
(0) (0)
hm ring 1 v 2 , cn tt c cc tr ring khc xa chng. Trong php
tnh gn ng cp khng, ta tm nghim di dng
(0) (0)
(0) = a1 + b2 (2.26)
Thay gi tr ny ca (0) vo trong phng trnh
H (0) = E (0) , H = H0 + V ,
chng ta thu c

(0) (0) (0) (0)
aH1 + bH2 =E a1 + b2 . (2.27)
(0)
Nhn (2.27) vi 1 v ly tch phn, ta c
Z Z
(0) (0) (0) (0)
aH11 + bH12 = aE; H11 = 1 H1 dx, H12 = 1 H2 dx (2.28)
V V
(0)
Tng t vi 2 , ta c
Z Z
(0) (0) (0) (0)
aH21 + bH22 = bE; H21 = 2 H1 dx, H22 = 2 H2 dx. (2.29)
V V
Ta c: Z
(0)
Hmn = m Hn(0) dx = En(0) mn + Vmn . (2.30)
V
Hai phng trnh (2.28) v (2.29) c bin i thnh
(
(H11 E)a + H12 b = 0
(2.31)
H21 a + (H22 E)b = 0
cho h phng trnh c nghim khng tm thng (a 6= 0, b 6= 0),

th nh thc ca n phi bng khng, ngha l
E 2 (H11 + H22 ) E + H11 H22 H12 H21 = 0. (2.32)

Gii phng trnh ta thu c cc nghim

q

2
E1 = 12 H11 + H22 + (H11 H22 ) + 4|H12 |2

(2.33)

q

2
E2 = 1
2
H11 + H22 (H11 H22 ) + 4|H12 |2 ,

trong ta lu H12 = H21 do H l ton t hermitic.
Ta xt hai biu thc ca (2.33) trong hai trng hp gii hn
1. Nu H11 H22 |H12|, th theo (2.30) c ngha l

(0) (0) (0) (0)
E1 + V11 E2 + V22 E1 E2 |V12|.
Nh vy, iu kin (2.25) c tho mn v l thuyt nhiu lon trong tit

trc c th ng dng c. Nu trong php gn ng ta c th b qua
4|H12 |2 trong s hng di cn s bc hai (2.33), th ta s c gi tr gn
ng cp mt trong php nhiu lon thng thng:
(0) (0)
E1 = H11 = E1 + V11 ;
E2 = H22 = E2 + V22 .

Trong php gn ng chnh xc hn, ngha l 1 + 1 + /2, ta thu c

1 2|H12 |2
E1 = H11 + H22 + H11 H22 + ,
2 H11 H22
|H12 |2 (0) |V12|2
E1 = H11 + = E1 + V11 + (1) (1)
. (2.34)
H11 H22 E1 E2
Tng t, ta c
(0) |V21 |2
E2 = E2 + V22 (1) (1)
, (2.35)
E1 E2
(1) (0)
trong Ei = Ei + Vii , i = 1, 2.
2. Nu H11 H22 |H12 |, trong trng hp ny, vi chnh xc n
cc s hng c b cp mt
( )
2
H11 + H22 (H11 H22 )
E1,2 = |H12 | + . (2.36)
2 8|H12 |
Chng ta nghin cu xem hiu cc gi tr nng lng xc nh bi cc

cng thc (2.33) v hiu H11 H22 c quan h vi nhau nh th no. Mun
vy, t:
H11 = H0 + x; H22 = H0 x (2.37)
Trong l mt h s khng i, x l bin c lp. Theo :
H11 H22 = 2x v H11 + H22 = 2H0 .
Tin hnh nhng php thay th tng ng trong (2.33), kt qu thu c
nh sau: ( p
E1 = H0 + 2 x2 + |H12|2
p (2.38)
E2 = H0 2 x2 + |H12|2 .
Trn hnh v 2.1 c biu din cc th ca cc hm trong (2.38)

(ng lin nt) v cc hm (2.37) (ng chm chm) ng vi mt gi tr
c nh no ca |H12 |. Hiu cc tung ca cc ng lin nt v cc
ng chm chm gn nht cho ta hiu chnh cp hai ca cc gi tr nng
lng. rng, hiu chnh cp hai bao gi cng lm tng khong cch gia
cc mc. V th i khi ngi ta gi l s y ca cc mc, c hiu l
lm tng khong cch gia cc mc gn nhau, xut hin do c xt n cc
s hng b b qua trong Hamiltonian bi ton n gin ho hn. Trong
hnh 2.1, ta nhn thy rng ngay c khi hiu H11 H22 = 0 th
E1 E2 = 2|H12 | = 2|V12|.
By gi ta tm hm sng tng ng vi cc nng lng E1 v E2 . Mun
vy, cn xc nh cc h s a v b trong cng thc (2.26). T (2.31), ta c
a H12
=
b E H11
Th cc gi tr ca E bng E1 v E2 c xc nh cc biu thc (2.33)

a 2H12
= ( r ), (2.39)
b 1,2 h i2
(H11 H22 ) 1 1 + H112HH
12
22
cc ch s 1 v 2 theo th t ng vi du + v ng trc du cn. t

2H12
tg2 = , (2.40)
H11 H22
cng thc (2.39) c dng mi
a tg2
= p .
b 1,2 1 1 + tg2 2
T rt ra
a a
= cotg, = tg. (2.41)
b 1 b 2
H thc chun ho cho hm sng (2.26) yu cu

a2 + b2 = 1, (2.42)
hai phng trnh (2.41) v (2.42) cho ta rt ra
a1 = cos , b1 = sin ; a2 = sin , b2 = cos . (2.43)
Thay cc kt qu ny vo cng thc (2.26), ta thu c cc hm sng chun
ho tng ng vi cc gi tr nng lng E1 v E2 :
(
(0) (0)
1 = 1 cos + 2 sin
(0) (0) (2.44)
2 = 1 sin + 2 cos .
Theo (2.40) khi bt ng thc H11 H22 |H12 |, c nghim ng

th tg2 0, do
(0) (0)
1 = 1 , cn 2 = 2 ,
ngha l cc hm mi trng vi cc hm ban u. Khi bt ng thc H11
H22 |H12|, c tho mn th tg2 , ngha l = /4, cng thc
(2.44) tr thnh
1 = 1 (0) + (0)
2 1 2

2 = 1 (0) (0) .
2 1 2
(0) (0)
T iu ni trn, suy ra rng trong s cc gi tr nng lng E1 , E2 , E3 , E4 , ...
s khng c cc gi tr gn nhau. Do c th dng cc gi tr ny cng cc
(0) (0)
hm tng ng ca chng 1 , 2 , 3 , 4 , ... lm cc i lng gn ng cp
khng khi cn tnh cc hm sng theo cng thc (2.24) trong php tnh
gn ng cp mt v cc hiu chnh cho nng lng trong php gn ng
cp hai theo cng thc (2.23).
Phng php ny cng c th dng c khi E1 = E2 , ngha l khi c
(0) (0)
mc suy bin bc hai vi hai hm 11 v 12 . Tt c cc cng thc ny vn
(0) (0) (0) (0)
cn ng, nu hiu 1 l 11 v 2 l 12 .
2.2.2 L thuyt nhiu lon dng khi c suy bin:

n gin, ta xt trc tip trng hp suy bin bi hai. C th l
mt mc nng lng En ca h tng ng vi hai hm sng n1 v n2 c
lp tuyn tnh vi nhau. Ta c th chn sao cho n1 , n2 trc chun. Vi n
xc nh, ta gi thit Z

n n dx = . (2.45)
V
Gi H l Hamiltonian ca h,
H = H0 + V . (2.46)
Ta cn tm tr ring E v hm ring ca H, ngha l phi tm nghim ca
phng trnh
H = E. (2.47)
Do c suy bin bi hai nn phng trnh (2.47) c th vit
(
(0) (0) (0)
H0 n1 = En n1
(0) (0) (0) (2.48)
H0 n2 = En n2 .
Ta tm E v vi iu kin trc chun (2.45). Biu din hm di

dng t hp tuyn tnh
( (0) (0)
= C1n1 + C2n2
(0) (2.49)
E = En + E (1) .
Thay (2.49) vo (2.47) v vn dng (2.46), (2.48), ta c

(0) (0) (0) (1) (0) (0)
H0 + V C1 n1 + C2 n2 = En + E C1 n1 + C2 n2 ,
(0) (0) (0) (0)

C1V n1 + C2 V n2 = C1 E (1)n1 + C2 E (1) n2 .
(0)
Nhn hai v ng thc trn vi n , vi = 1, 2, ri ly tch phn trn ton
min gi tr ca x, ta c
Z Z Z Z
(0) (0) (0) (0) (0) (0) (0)
C1 n V n1 dx+C2 n V n2 dx = C1 E (1) (0)
n n1 dx+C2 E (1) n n2 dx
V V V V
hay
V1 C1 + V2 C2 = C1 E (1) 1 + C2 E (1) 2, = 1, 2.
R (0) (0)
lu rng V = V n V n dx, ta suy ra
(
V11 E (1) C1 + V12 C2 = 0
(2.50)
V21C1 + V22 E (1) C2 = 0.
H phng trnh (2.50) c nghim khc khng khi nh thc lp bi cc h

s ca cc n C1 , C2 bng khng, ngha l

V11 E (1) V
12
=0

V21 V22 E (1)
Khai trin nh thc s thu c mt phng trnh bc hai theo E (1) .

Gii phng trnh, ta c hai nghim
q
(1) 1 2
E1,2 = V11 + V22 (V11 + V22 ) 4 (V11V22 V12 V21 )
2
q
(1) 1
E1,2 = V11 + V22 (V11 V22 )2 + 4|V12 |2 . (2.51)
2
Tm li, i vi h khng nhiu lon H = H0 , ch c mt mc nng lng
(0) (0) (0)
En cho hai hm sng n1 v n2 . Khi h c nhiu lon H = H0 + V , mc
nng lng ca h tch thnh hai mc
( (0) (1)
E1n = En + E1
(0) (1) (2.52)
E2n = En + E2
Xt trng hp c bit khi V11 = V22 , V12 = V21 , th

(1) (1)
E1 = V11 + |V12|; E2 = V11 |V12|. (2.53)
(1) (1)
ng vi hai gi tr E1 v E2 s c hai cp gi tr cho C1 v C2.
(1)
a)Vi E1 = V11 + V12 , h phng trnh (2.50) tr thnh
(
V12 C1 + V12 C2 = 0
V12C1 V12 C2 = 0.
Kt hp vi iu kin chun ho hm sng, ta suy ra

1
C1 = C2 = ,
2
(1)
nh vy hm sng ng vi mc nng lng E1 l
1 (0) (0)

n1 = n1 + n2 .
2
(1)
b)Vi E2 = V11 V12 , h phng trnh (2.50) tr thnh
(
V12 C1 + V12 C2 = 0
V12 C1 + V12 C2 = 0.
Trong trng hp ny ta tm c
1
C1 = C2 = ,
2
(1)
hm sng tng ng vi mc nng lng E2 l
1 (0) (0)

n2 = n1 n2 .
2
Mc nng lng khng cn suy bin na. Nh vy nhiu lon lm mt
suy bin.
By gi ta xt l thuyt nhiu lon khi c suy bin bi n 2. C th
l t vn nh sau: Cn tm nghim ca phng trnh
H = E (2.54)
trong
H = H0 + V ; H0 p(0) = E (0) p(0) , p = 1, 2, ..., n. (2.55)

(0)
Mt mc E (0) ng vi n hm p . Gii hn tm cc hiu chnh nng lng
trong php gn ng cp mt v cc hm sng trong php gn ng cp
khng, ngha l )
(0) (1)
E = E +E ,
P (0) (2.56)
= p Cp p .
Thay (2.56) vo (2.54) v vn dng (2.55), (2.56), ta vit c :

X X
(0) (0) (1)
H0 + V Cp p = E + E Cp p(0) , hay
p p
X X
Cp V p(0) =E (1)
Cp p(0) , (2.57)
p p
(0)
nhn hai v ca (2.57) vi m , ri ly tch phn trn ton min gi tr ca
bin x, ta c
Xn
(1)
Cp Vmp E mp = 0, (2.58)
p=1
cho m = 1, 2, ..., n, ta thu c h n phng trnh dng (2.58) vi n n s

C1 , C2 , ..., Cn . Mun cho cc nghim khng tm thng th nh thc lp bi
cc h s ca cc n phi bng khng

V11 E (1) V 12 V 13 ... V 1n

V21 V E (1)
V ... V =0 (2.59)
22 23 2n
... ... ... ... ...

V V V ... V E (1)
n1 n2 n3 nn
Khai trin nh thc (2.59), ta c mt phng trnh bc n ca E (1) . Phng

trnh trn gi l phng trnh th k (thut ng mn trong thin vn hc).
N c n nghim thc. Nu tt c cc nghim ca phng trnh th k u
khc nhau th mc nng lng E (0) bi n ca bi ton suy bin s tch thnh
(0)
n mc nng lng khc nhau Ep , p = 1, 2, ..., n
Ep = E (0) + Ep(1) , (2.60)
mi mc Ep ng vi mt hm sng
X (0)
p = Ck pk . (2.61)
k
Trong trng hp ny suy bin bi n b mt hon ton.

Nu mt hay mt s nghim ca phng trnh th k (2.59) l nghim
bi s th suy bin bi n b mt mt phn. Cc hm sng pk vi cc nghim
bi Epk , k = 1, 2, ..., s, ca phng trnh (2.59) khng c xc nh n tr
bi cc phng trnh. Tuy nhin, bao gi cng c th chn chng sao cho
chng c trc giao vi nhau. Cc hm sng ng vi cc nghim khc nhau
ca phng trnh (2.59) cng trc giao vi nhau. Trong phn ny, ta nhn
thy rng nhiu lon lm mt suy bin. Thng thng khi c nhiu lon,
cc tr ring ca ton t H0 s khng suy bin hoc bi suy bin gim
i. iu ny c lin quan mt thit n tnh i xng ca Hamiltonian i
vi mt lp xc nh cc php bin i to ca h. Thng thng, nhiu
lon V khng c cng tnh i xng vi H0 , do Hamiltonian tng hp
H = H0 + V s khng c tnh i xng nh trc v mc nng lng ca n
s khng suy bin. Nh vy, nhiu lon lm mt s suy bin.
2.3 Hiu ng Stark trong nguyn t Hydro

Khi nguyn t c t trong mt in trng th cc vch quang ph
ca n s b tch ra. Hin tng ny c Stark pht hin vo nm 1913.
Hiu ng Stark ch c th gii thch bng c hc lng t. Trong phn ny, ta
gii hn kho st hiu ng Stark bc nht, c trng cho nguyn t ng
dng Hydro. i vi cc nguyn t ny, cc mc nng lng khng nhng
suy bin theo m m cn suy bin theo ` na. Chnh s suy bin theo `
gy ra hiu ng Stark bc nht. Cn i vi cc nguyn t khng phi ng
dng Hydro, s suy bin theo ` ni chung khng c, do khng quan st
c hiu ng Stark bc nht. Vi mc nng lng th nht (n = 1, ` = 0)
khng c suy bin nn khng c s tch mc, do ta s xt s tch mc
nng lng th hai ca nguyn t Hydro (n = 2).
Do in trng ngoi E trong cc th nghim vo khong 104 106 V /cm,
nh hn rt nhiu so vi in trng gy bi ht nhn Enh = e/a2
5.109 V /cm, trong a l bn knh qu o Bohr th nht, nn ta c th
dng l thuyt nhiu lon kho st hiu ng Stark. y, ton t nhiu
lon l ton t th nng ca in t trong in trng ngoi V
V = eEz. (2.62)
trng thi khng nhiu lon, in t c mc nng lng

(0) R~
E2 = , (2.63)
4
trong R l hng s Rydberg. Mc nng lng ny (n = 2) tng ng vi
n2 = 4, hm sng
(0) 1
1 = 200 = R20(r)Y00 = R20(r), (2.64)
4
r
(0) 3
2 = 210 = R21(r)Y10 = R21(r) cos , (2.65)
4
r
(0) 3
3 = 211 = R21(r)Y11 = R21(r) sin ei , (2.66)
8
r
(0) 3
4 = 211 = R21(r)Y11 = R21(r) sin ei . (2.67)
8
Thay cc bin bng to Descartes, cc hm sng c dng
(0) 1
1 = f1 (r) = R20(r), (2.68)
4
r
(0) 3 R21(r)
2 = zf2 (r); f2 (r) = , (2.69)
4 r
Do p
rsinexp(i) = x2 + y 2 exp(i) = x + iy;
p
rsinexp(i) = x2 + y 2exp(i) = x iy
nn
(0) x + iy
3 = f2(r) , (2.70)
2
(0) x iy
4 = f2 (r) . (2.71)
2
(0)
Hm sng tng qut nht ng vi mc nng lng E2 l
4
X (0)
= Ck k . (2.72)
k=1
Trong trng hp ny, bi suy bin l 4 nn xc nh cc h s Ck v

(1)
cc hiu chnh bc nht E2 cho mc nng lng E2 ca trng thi nhiu
lon, ta p dng (2.58) tm c h 4 phng trnh sau:

(1)
V11 E2 C1 +V12C2 +V13C3 +V14 C4 = 0

(1)
V21 C1 + V22 E2 C2 +V23C3 +V24 C4 = 0

= 0
(1)
V31 C1 +V32C2 + V33 E2 C3 +V34 C4

= 0
(1)
V41 C4 +V42C2 +V43 C3+ V44 E2 C4
(2.73)
trong Z Z
(0) (0) (0) (0)
Vij = i V j dV = eE i zj dV. (2.74)
V V
Ch cc phn t ma trn V12 = V21 l khc khng v chng l cc hm

chn ca c ba to x, y, z
Z
V12 = V21 = eE f1(r)f2 (r)z 2dV, (2.75)
V
cn cc phn t ma trn V khc u trit tiu v biu thc di du tch

phn ca chng u l hm l i vi ba to x, y v z.
Thay vo (2.75) cc hm f1 (r), f2(r) ly t (2.68) v (2.69) vi lu
rng
1 r r
R20(r) = 2a 3
1 2a exp 2a ,

(2.76)
1 r

R21(r) = 6a3 2a
exp r2a .
Ta tnh tch phn (2.75) trong to cu vi dV = r 2 sin drdd,

Z Z Z 2
eE r r exp r
2a r 2 2
V12 = exp 1 z r sin ddrd,
8a3 0 0 0 2a 2a r 2a
m Z Z Z Z
2 2
2 2 4 2
z sin dd = r cos2 sin dd = r .
0 0 0 0 3
a vo bin mi = r/a, ta thu c

Z
eEa
V21 = V12 = exp() 1 4d = 3eEa. (2.77)
12 0 2
cho cc nghim C1 , C2 , C3 , C4 khng tm thng th nh thc

(1)
E2 3aeE 0 0

(1)
3aeE E2 0 0

=0 (2.78)

0 0 E2
(1)
0

(1)
0 0 0 E2
(1)
Khai trin nh thc, ta thu c phng trnh bc bn ca E2

(1) 2 (1) 2 2 2 2
E2 E2 9a e E = 0. (2.79)
V tm c 4 nghim ca phng trnh (2.79)

(1) (1) (1) (1)
E21 = 3aeE; E22 = 3aeE; E23 = E24 = 0. (2.80)
Mi nghim tng ng vi mt b hon ton xc nh ca cc h s
(1)

E21 C11 = C21 , C31 = C41 = 0,
(1)

E22 C12 = C22 , C32 = C42 = 0,
(1) (2.81)
E23 C13 = C23 = 0, C33 6= 0; C43 6= 0,

(1)
E24 C14 = C24 = 0, C34 6= 0; C44 6= 0.
Nh vy ng vi mc nng lng
(0) (1) (0)
E21 = E2 + E21 = E2 3aeE (2.82)
ta c hm sng trong php gn ng cp khng
(0) (0)
1 = C111 + C212 = C11 (200 + 210) . (2.83)
iu kin chun ho hm sng cho
Z
1 1 dV = 1,
V

ta tm c C11 = 1/ 2, vy
1
1 = (200 + 210) . (2.84)
2
Tng t mc nng lng
(0) (1) (0)
E22 = E2 + E22 = E2 + 3aeE (2.85)
tng ng vi hm sng trong php gn ng cp khng

1
2 = (200 210 ) . (2.86)
2
(0)
Cc mc nng lng E23 = E24 = E2 tng ng vi trng thi 3 =
211 (m = 1), hay 4 = 211 (m = 1), hay t hp tuyn tnh ca chng
v C13 = C23 = C14 = C24 = 0. Cn C33, C34 , C43 v C44 vn cha xc nh.
(0)
Nh vy s suy bin b kh mt phn, v mc nng lng ban u E2
ch tch thnh ba mc khc nhau. S minh ho c trnh by hnh 2.2.
2.4 Nhiu lon ph thuc thi gian

Xt mt h c nng lng ph thuc thi gian. Ta k hiu ton t nhiu
lon l mt hm ca thi gian V (t). Hamiltonian ca h trong trng hp
ny c dng
H = H0 + V (t). (2.87)
Trong trng hp ny, nng lng ca h khng bo ton, do khng
c cc trng thi dng.
Phng trnh Schrdinger ca h c dng

(x, t)
i~ = H0 (x, t) + V (t)(x, t). (2.88)
t
Ta s gii phng trnh bng phng php bin thin hng s do Dirac
a ra nm 1926. Gi
i (0)
n(0) (x, t) = n(0) (x)e ~ En t
(2.89)
l cc hm sng trng thi dng bit ca h khng nhiu lon. Cc hm

ny tho mn phng trnh khng nhiu lon
(0)
n (x, t)
i~ = H0 n(0) (x, t) = En(0) n(0) (x, t). (2.90)
t
Gi s c mt nhiu lon nh V (t) tc dng ln h. Hm sng cn tm
(x, t) ca h nhiu lon tho mn phng trnh (2.88). Dng tng qut ca
hm sng X (0)
(x, t) = Ck (t)k (x, t). (2.91)
k
(0)
V cc hm sng k (x, t) to thnh mt h cc hm ring ca ton t
hermitic H0 , nn mt khai trin nh trn bao gi cng thc hin c. Cc
h s khai trin Ck (t) ch ph thuc thi gian v khng ph thuc to .
Thay (2.91) vo (2.88) v ch n (2.90), ta c
X (0) dCk (t) X (0)
i~ k (x, t) = Ck (t)V (t)k (x, t).
dt
k k
(0)
Nhn bn tri hai v vi m (x, t) ri ly tch phn theo to , ta c
dCm (t) X
i~ = Vmk (t)Ck (t), (2.92)
dt
k
trong
Z
(0) (0)
Vmk (t) = e (Em Ek )t
i (0)
(0)
~ m (x)V (t)k (x)dx = eimk t vmk (t),
V
Z
1 (0) (0)

(0) (0)
mk = Em Ek ; vmk (t) = m (x)V (t)k (x)dx, (2.93)
~ V
vi Vmk (t) l cc phn t nhiu lon bao gm c tha s thi gian.

H phng trnh (2.92) l h phng trnh chnh xc. N tng ng
vi phng trnh (2.88), v tp hp cc h s Ck (t) xc nh hon ton hm
sng (x, t). Tuy nhin, gii phng trnh (2.92) khng n gin hn gii
phng trnh xut pht (2.88). n gin ho phng trnh (2.92), ta cn
dng tnh cht nhiu lon V (t) l nh. Gi thit rng ban u khi t 0, h
(0)
trng thi ring n , theo
Ck (0) = kn. (2.94)
Bt u t t = 0, h chu tc dng ca mt nhiu lon nh, do hm sng

(0)
n ca trng thi ban u ph thuc t vo thi gian. V th, cc h s Ck (t)
ti thi im t > 0 c tm di dng
(1) (2)
Ck (t) = kn + Ck (t) + Ck (t) + .... (2.95)
(1)
Hiu chnh Ck (t) c cng cp b vi phn t nhiu lon Vmk (t) (hay
(2)
vmk (t)), Ck (t) l bc hai i vi phn t nhiu lon,.... Thay khai trin
(2.95) vo (2.92), ta tm c cc phng trnh cng bc nhiu lon:
- Bc nht
dCm (t) X
(1)
i~ = vmk (t)eimk t nk = vmn (t)eimn t , (2.96)
dt
k
khi ta b qua tt c cc s hng c cp b cp hai v cao hn ca

nhiu lon. Ly tch phn (2.96), ta c
Z
(1) 1 t
Cm (t) = vmn (t)eimn t dt. (2.97)
i~ 0
- Bc hai:
dCm (t) X
(2)
(1)
i~ = vmk (t)eimk t Ck . (2.98)
dt
k
Gii phng trnh ny bng cch th kt qu (2.97) vo v phi ca

(2)
phng trnh (2.98), ta thu c Cm (t). Tip tc lp li cho phng trnh
nhiu lon bc 3, bc 4,...
Khi nhiu lon V (t) nh th ta c th gii hn php tnh gn ng
bc nht.
2.5 S chuyn di lng t ca h vi m sang cc trng

thi mi di nh hng ca nhiu lon
Mt trong nhng bi ton quan trng nht ca c hc lng t l vic
tnh xc sut chuyn di ca h t trng thi lng t ny sang trng thi
(0)
lng t khc. Gi s c mt h trng thi nng lng xc nh En v
(0)
c m t bi mt hm sng xc nh n . Nu khi t 0, h chu tc dng
ca mt nhiu lon V (t), th ti thi im t > 0, h s nm trong mt trng
thi mi m t bi hm sng
X (0)
(x, t) = Ck (t)k .
k
iu ny c ngha l ti thi im t > 0 h c th mt trng thi bt k

no trong s cc trng thi dng kh d ca n. Theo cc quy lut tng
qut ca c hc lng t, xc sut tm thy h trong trng thi lng t m
c xc nh bng |Cm |2. V ti t = 0 h trng thi dng n nn |Cm (t)|2
xc nh xc sut chuyn di ca h t trng thi n sang trng thi m trong
khong thi gian t, wmn (t) = |Cm (t)|2 |Cmn (t)|2. y ch s th hai k
hiu trng thi u.
Nh vy nhiu lon l nguyn nhn gy ra s di chuyn ca h t mt
trng thi lng t ny sang mt trng thi khc. Nt c trng ca qu
trnh ny khng c s tng t trong vt l c in. l nhiu lon gy
ra s di chuyn t mt trng thi dng vi nng lng xc nh sang mt
trng thi mi, trong nng lng khng c gi tr xc nh. Trng thi
cui ca h c m t bi hm sng (x, t) v l mt trng thi xc nh
(theo nh ngha ca c hc lng t).
S di chuyn ny khng c thc hin bng bc nhy m din ra
theo thi gian. T (2.97), ta d dng tnh c xc sut di chuyn ca h
(0) (0)
t trng thi dng n (x) sang trng thi dng m (x), (m 6= n) trong
khong thi gian t 0 t c nhiu lon tc ng trong gn ng bc nht
Z t 2
1
(1)
wmn (t) = |Cmn (t)|2 = 2 vmn (t)eimn t dt (2.99)
~ 0
(1)
Lu rng (2.99) ch ng khi vmn (t), t nh hiu chnh Cmn nh so vi
n v.
a) Ta xt trng hp c bit khi nhiu lon khng ph thuc thi
gian, ngha l V (t) = V (0), theo vmn (t) = vmn (0), nn

Z t i (0) (0)
~ (Em En )t 1
(1) 1 e
Cmn (t) = vmn (0) eimn t dt = vmn (0) (0) (0)
(2.100)
i~ 0 Em En
h i
2 t (0) (0)
sin 2~ Em En
(1)
wmn (t) = |Cmn (t)|2 = 4|vmn (0)|2 2 (2.101)
(0) (0)
Em En
Nu tm xc sut chuyn t trng thi ban u n n tt c cc trng thi
khc th ta ly tng mi gi tr ca m
h i
2 t (0) (0)
X X X sin 2~ Em En
(1)
wn (t) = wmn (t) = |Cmn (t)|2 = 4 |vmn (0)|2 2 .
(0) (0)
m m m Em En
(2.102)
Nu cc trng thi cui cph lin tc th du tng thay bng du tch phn
(0) (0)
theo bin vi phn Em dEm
h i
Z sin2 t Em (0)
En
(0)

2 2~ (0) (0)
wn (t) = 4|vmn (0)| 2 Em dEm , (2.103)
(0) (0)
Em En

(0) (0)
trong Em l hm mt trng thi trong khong nng lng Em

(0) (0) 2 (0)
Em + dEm . Khi tnh tch phn, ta xem |vmn (0)| v Em khng i v
dng cng thc Z
sin2(x)
dx =
x2
th s thu c xc sut chuyn di t trng thi n n tt c cc trng thi
khc
2t 2 (0)
wn (t) = |vmn (0)| Em . (2.104)
~
b) Mt trng hp quan trng khc l nhiu lon tun hon n sc:
V (t) = V0 exp(it). (2.105)
Xc sut chuyn di lng t c dng
h i
2 t (0) (0)
sin 2~ Em En ~
(1) 2 2
wmn (t) = |Cmn (t)| = 4|vmn (0)| 2 , (2.106)
(0) (0)
Em En ~
khi
(0)
~ = Em En(0) (2.107)
th xc sut c gi tr cc i. R rng nu nng lng ~ ca nng lng
(0) (0)
kch thch bng hiu hai mc nng lng Em En th xc sut chuyn di
t trng thi n n trng thi m ca h lng t c gi tr cc i. l
tnh cht cng hng ca s kch thch bng bc x. Vic kho st hm
(0) (0)
(0) sin2[ 2~t (Em En ~)]
fm (Em , t) = 2
1 (0) (0)
2~ (Em En ~) t
cho ta iu kin
~ (0)
Em
t
Lu rng t yu cu bt nh nng lng ca trng thi cui
(0)
Em phi nh so vi nng lng ~ ca trng kch thch, ta rt ra bt
ng thc
1 (0) ~
t , Em .t (2.108)
2
(0)
ngha l Em ~ nu thi gian tc ng ca nhiu lon ln so vi chu
k ca nhiu lon.
Khi t th da vo cng thc
sin2 t
limt = () : hm delta Dirac,
2t
(0) (0)
vi = (Em En ~)/(2~) v lu tnh cht (ax) = (x)/a, ta suy ra
2
2 (0) (0)
wmn (t) = |vmn (0)| t Em En ~ . (2.109)
~
Nh vy khi xt trong mt thi gian di th ch c chuyn di lng t
nu i s ca hm delta Dirac bng khng, tc l nng lng bc x kch
thch ~ ng bng hiu hai mc nng lng.
2.6 Nguyn t Hli

Nguyn t Hli gm ht nhn dng mang in tch +2e v hai in t
chuyn ng xung quanh ht nhn. Chn h quy chiu c gc to ht
nhn Hli, do ht nhn ng yn trong h quy chiu ny. Ta vit c

Hamiltonian ca h hai in t di dng

~2 2 ~2 2 2e2 2e2 e2
+ = E, (2.110)
2m 1 2m 2 r1 r2 r12
trong r1 , r2 theo th t l khong cch gia ht nhn Hli vi hai in t

v r12 l khong cch gia hai in t. Hai s hng th ba, th t m t th
nng tng tc gia
hai in t vi ht nhn, s hng cui cng m t nng lng tng tc

Coulomb gia hai in t. Trong biu thc ca Hamiltonian nu trn, ta
b qua mt s hiu ng gy bi mmen t spin v mmen t qu o ca
in t,.... Do nghim ca phng trnh (2.110) cn c tm di dng
tch ca cc hm to (~r1 , ~r2 ) v hm spin (1 , 2 )
= (~r1 , ~r2 ) (1 , 2 ) . (2.111)
thu c cc hm sng v nng lng ca trng thi c bn ca Hli

trong php gn ng tm gi l tho ng, ta dng phng php nhiu lon.
Khi tng tc gia hai in t e2 /r12 trong (2.110) c xem nh mt
nhiu lon. Theo , trong php gn ng cp khng, phng trnh (2.110)
c dng

~2 2 ~2 2 2e2 2e2
(0) = E (0) (0) , (2.112)
2m 1 2m 2 r1 r2
Bng phng php phn ly bin s vi s b qua tng tc gia hai in t

nh trn, ta vit li Hamiltonian ca h
~2 2 2e2 ~2 2 2e2
H = H1 + H2 ; H1 = ; H2 = . (2.113)
2m 1 r1 2m 2 r2
Gi 1 (~r1 ) , 2 (~r2 ) theo th t l hm sng ca ch in t 1, 2. Ta vit c

1 (~r1 ) = (n, `, m, sz )1 ; 2 (~r2 ) = (n, `, m, sz )2 (2.114)
v
H1 1 (~r1 ) = E1 1 (~r1 ) ; H2 2 (~r2 ) = E2 2 (~r2 ) . (2.115)
Hm v nng lng E ca h gm c hai ht trong trng ht nhn s l
= 1 (~r1 ) 2 (~r2 ) = (n, `, m, sz )1 (n, `, m, sz )2; E = E1 + E2 .
Thc vy

H = H1 + H2 1 (~r1 ) 2 (~r2 )
= H1 1 (~r1 ) 2 (~r2 ) + H2 1 (~r1 ) 2 (~r2 )
= E1 1 (~r1 ) 2 (~r2 ) + E2 1 (~r1 ) 2 (~r2 )
= (E1 + E2 ) 1 (~r1 ) 2 (~r2 ) , r rng
H = E.
Ta c th k hiu tp hp cc s lng t (n, `, m, sz )i ni , do

i (~ri ) = ni (~ri ), ... Tng qut, trng thi ca c h c to khng gian l
~r1 , ~r2 , ... s l chng cht cc trng thi trn
X
(~r1 , ~r2 ) = C(n1, n2 )n1 (~r1 )n2 (~r2 ). (2.116)
n1 ,n2
l dng tng qut ca hm sng ca h ti mt to khng gian xc nh.

By gi nu coi tng tc V = e2 /r12 gia hai in t vi nhau l nhiu
lon th
e2
H = H1 + H2 + = H0 + V . (2.117)
r12
Khi V = 0, nng lng ca h l E0 v 0 l hm sng tng ng khi khng
c nhiu lon.
Trong php gn ng cp mt ca nhiu lon, mc nng lng trng
thi c bn c cho bi cng thc
E = E0 + E (1) = En + Em + E (1) . (2.118)
En , Em l cc mc nng lng ca in t 1 v in t 2 ln lt trng
thi n v m c xc nh bi
(0)
(0) = 1 = n (~r1 )m (~r2 ), (2.119)
(0)
(0) = 2 = n (~r2 )m (~r1 ). (2.120)
(0) (0)
Nh vy theo nguyn l khng phn bit cc ht ng nht , 1 v 2 u
tho mn cc phng trnh
(0) (0) (0) (0)
H0 1 = E0 1 ; H0 2 = E0 2 .
y l trng hp suy bin cp hai. Khi c ton t nhiu lon V 6= 0, ta c:
H = E, H = H0 + V . (2.121)
Ta s tm hm sng trong php gn ng cp khng v mc nng lng

trong php gn ng cp mt. Ta vit c
X (0) (0) (0)
= Ck k = C11 + C22 , E = E0 + E (1) . (2.122)
k
Vi lu
Z Z Z Z
(0) (0) (0) e2 (0)
Vij = Vji = i V j dVi dVj = i dVi dVj ,
r12 j
theo :
V11 = V22; V12 = V21 = V12 = V21 . (2.123)
ta tm E (1) bng cch cho nh thc sau bng khng

V11 E (1) V
12
= 0. (2.124)

V21 V22 E (1)
Vn dng kt qu (2.123), ta suy ra hai nghim

(1) (1)
E1 = V11 + V12; E2 = V11 V12.
Cui cng, suy ra nng lng h

E1 = E0 + V11 + V12
(2.125)

E2 = E0 + V11 V12
vi E0 = En + Em . t
V11 = V22 K; V12 = V21 A, l cc i lng thc. (2.126)

1,2 = E1,2 E0 = K A, (2.127)

vi E = E0 + E (1) , theo (2.50) ta c h phng trnh

(E0 + V11 E) C1 + V12C2 = 0
(2.128)

V12 C1 + (E0 + V22 E) C2 = 0.
T suy ra
(K ) C1 + AC2 = 0
(2.129)

(K ) C2 + AC1 = 0.

Thay = K + A, ta thu c C1 = C2 = 1/ 2.
Thay = K A, ta thu c C1 = C2 = 1/ 2.
Suy ra hm sng i xng
1 (0) (0)

s (~r1 , ~r2 ) = 1 + 2 , Es = En + Em + K + A, (2.130)
2
hm sng phn xng
1 (0) (0)

a (~r1 , ~r2 ) = 1 2 , Ea = En + Em + K A. (2.131)
2
Phng php ny khng cho chnh xc cao, so vi thc nghim th
vo khong 20%. Ta s xt bi ton ny theo phng php khc c chnh
xc cao hn, l phng php trng t hp Hartree-Fok.
2.7 Phng php trng t hp Hartree-Fok

2.7.1 Nguyn l bin phn
Phng trnh Schrdinger di dng tng qut H = E c th thu
c t nguyn l bin phn
Z

H E dq = 0. (2.132)
Thc vy, tr trung bnh ca nng lng trng thi dng l

Z
E = Hdq (2.133)
R
Vi iu kin chun ho cho hm l dq = 1, ta cn tm cc
hm sao cho E t cc tr. E l mt i lng ph thuc vo v c
gi l phim hm. Ta tm cc tr ca phim hm ny. y l mt bi ton
bin phn c iu kin. Mun vy, ta dng phng php tha s bt nh
Lagrange. Ni dung phng php ny sau: Gi s cn tm cc tr ca phim
hm f = f (x1 , x2 , ..., xn ) vi iu kin i (x1, x2 , ..., xn ) = 0, i = 1, 2, ..., n.
Lagrange a bi ton tm cc tr f c iu kin v bi ton tm cc tr
P
khng c iu kin ca hm F = f + i i i , trong i c gi l cc
tha s bt nh Lagrange. Ta tm cc tr ca cc hm F vi bin x. Khi
cc im m F t cc tr cng l nhng im m f t cc tr vi iu kin
no .
Hm F t cc tr khi bin phn ca n F = 0.
Chuyn bi ton (2.132) v bi ton cc tr ca F
Z Z
F = Hdq E dq 1 . (2.134)
P
Trong s hng th nht v th hai ng vai tr ca f v i i i ,
cn E l tha s bt nh Lagrange. Php tnh bin phn cho ta
Z Z Z

F = Hdq E dq = H E dq = 0. (2.135)
Ly bin phn v c lp vi nhau, ta c

Z

H E dq = 0, (2.136)
Z Z

H E dq = 0 = H E dq, (2.137)
(2.137) vi ly tu l khc khng, suy ra

H E = 0; hay H = E , (2.138)
(2.136) vi ly tu , nn suy ra

H E = 0; hay H = E, (2.139)
Tm li, bi ton bin phn (2.135) khng c iu kin tng ng vi

bi ton bin phn c iu kin
Z
Hdq = 0, (2.140)
Z
dq = 1. (2.141)
Gi tr cc tiu ca (2.140) vi iu kin (2.141) l gi tr u tin ca nng

lng, tc l mc nng lng c bn E0 . Ta s chng minh phim hm
Z
I(0) = 0 H0 dq = E0
l tr ring cc tiu ca H . Thc vy, khai trin theo h hm ring v

trc chun {n } ca H:
X
= ann
n=0
v dng iu kin (2.141), ta thu c

Z X
X
2
Hdq = |an| En E0 |an|2 = E0 = min{En } (2.142)
n=0 n=0
Nh vy, vic tnh nng lng E0 trong trng thi c bn quy v vic
tnh cc tiu ca phim hm. Hm sng thc hin vic tnh cc tiu l
hm sng 0 trng thi c bn.. T iu kin cc tiu (2.140), ta xt tip
cc i lng 1 , E1 , 2 , E2 , .... Cc hm sng ca cc trng thi dng kch
thch n tip sau khng nhng ch tho mn iu kin chun ho m cn
phi tho mn iu kin trc giao
Z
n dq = 0. (2.143)
Cc hm n ny thc hin cc cc tr, ch khng phi cc tiu. Ta c th

ho iu kin (2.143):
Hm 1 buc phi trc giao vi 0 ,
Hm 2 buc phi trc giao vi 0 , 1 ,
Hm 3 buc phi trc giao vi 0 , 1 , 2 ,
...............................................................................,
Hm n buc phi trc giao vi 0 , 1 , ..., n1 .
Nh vy bit c cc hm 0 , 1 , ..., n1 ta tm tip cc trng thi
tip theo sau v buc chng phi tho mn
Z Z
||2dq = 1, m dq = 0, m = 0, 1, 2, ..., n 1.
Thc t vic tnh E0 quy v vic tm cc hm , c gi l cc hm th.

Cc phng n c th trong phng php bin phn ny khc nhau cch
chn cc hm th. Thng thng ngi ta chn hm th ph thuc vo cc
thng s , , .... Tm cc tiu ca phim hm J (, , ...)
Z
J (, , ...) = (q, , , ...)H (q, , , ...)dq.
tm , , ta tnh
J J
= = ... = 0

v thu c 0 , 0 , .... Ta tm c hm th E = J (0, 0 , ...) rt gn E0 v
hm sng0 (q, 0 , 0 , ...) rt gn vi 0 . Ta tip tc tm E1 , 1 , E2 , 2 khi
bit E0 , 0 Z
E1 = min 1 H1 dq,
R R
vi iu kin |1 |2dq = 1, 1 0 dq = 0.
Z
E2 = min 2 H2 dq,
R R R
vi iu kin |2 |2dq = 1, 2 1 dq = 2 0 dq = 0.
c th, ta xt th d sau:
Dng phng php bin phn tm tr ring v hm ring ca ton
t H ca dao ng iu ho mt chiu
~2 d2 m 2 2
H = + x,
2m dx2 2
ta tm hm th. Trc ht c nhn xt l hm th phi tho mn cc iu
kin chun, trong c iu kin 0 khi x .
Hm sng ca trng thi c bn khng c mt (xem phn dao ng
iu ho) c dng
1 2
(x, ) = A exp x
2
R
iu kin ||2dq = 1 cho ta A = (/)1/4 , vy
Z
1 ~2 m 2
J () = Hdx = + .
4 m
J () m
= 0 = 0 =
~
Trong trng thi c bn E0 = J (0 ) = (~)/2 v hm sng
m 1/4
mx2
0 = (x, 0 ) = exp .
~ ~
Tm tip E1 , 1 . Hm 1 phi trc giao vi 0 . Chn

1 2
1 (x, ) = Bx exp x ,
2
R
trong B 2 = (2/ ) 3/2, do iu kin chun ho |1|2 dx = 1. Cn
Z
J () = 1 H1 dx,
vi iu kin cc tiu
J () m
= 0 = 0 = .
~
Cui cng ta thu c
3
E1 = J (0) = ~,
2
1/2
2 m 3/4 mx2
1 = x exp .
~ 2~
2.7.2 Phng php trng t hp Hartree-Fok

a) Phng php trng t hp Hartree:
nghin cu h nhiu in t, ngi ta dng rng ri phng php

trng t hp. Ni dung phng php ny nh sau: Trong php gn ng cp
khng, tt c cc in t c coi nh chuyn ng c lp vi nhau trong
trng ht nhn. Da vo cc hm sng trong php gn ng cp khng, ta
tm c mt in tch v trng tnh in trung bnh gy ra bi tt c
cc in t.
Trong php gn ng tip theo, mi in t c coi nh chuyn ng
trong trng ht nhn v trng gy bi cc in t cn li. Nghim ca
phng trnh Schrdinger trong trng ny cho ta hm sng trong php gn
ng cp mt.
thu c phng trnh Schrdinger trong trng t hp, ngi ta

dng phng php bin phn. c th, ta xt nguyn t Hli v gi thit
rng mi in t u trng thi s. Ta cng khng yu cu phi i xng
ho h hm sng ca h cc in t. Trong php gn ng cp khng, c hai
in t c m t bng cc hm sng thc 1(~r1 ) v 2 (~r2 ), cn hm sng
ca nguyn t c dng
= 1 (~r1 )2 (~r2 ). (2.144)
Trong php gn ng (2.144), ta ly bin phn cc hm 1 v 2 c lp vi
nhau. Php tnh cho
R hR i
1 2 H E 1 2 dV2 dV1 = 0,

hR i (2.145)
R

2 1 H E 1 2 dV1 dV2 = 0.
Do tnh tu ca cc bin phn, ta suy ra

R
2 H E 1 2dV2 = 0,

(2.146)
R

1 H E 1 2dV1 = 0.
Thay H t (2.110), ta i ti cc phng trnh sau, gi l phng trnh

t hp Hartree
h 2 R i
~ 2 2e2
2m 1 r1 + 2 r12 dV2 1 = E1 1 ,
2 e2

h R i (2.147)

= E2 2 ,
2 2 2
~ 2e
2m 22 r2
+ 12 re12 dV1 2
y ta k hiu E1 = E H22 , E2 = E H11 v

Z
~2 2 2e2
Hii = i i dVi , i = 1, 2,
2m i ri
trong E l nng lng ton phn ca h hai in t trong trng ht
nhn, E1 , E2 l nng lng ca cc in t ring l.
Cc phng trnh (2.147) chng t trong th nng ca mi in t c
xut hin cc s hng b sung
Z 2 Z
e 2 (~r2 )
g1 (~r1 ) = 22 dV2 = e dV2 , (2.148)
r12 r12
Z 2 Z
2 e 1 (~r1 )
g2 (~r2 ) = 1 dV1 = e dV1 , (2.149)
r12 r12
trong i = e|i |2, i = 1, 2 l mt in tch gy ra bi mt in t ti
im c to ~ri .
Nng lng ton phn ca h bng
Z
E = HdV,
Z
~2 2 ~2 2 2e2 2e2 e2
E= 1 2 + 1 2 dV1 dV2
2m 1 2m 2 r1 r2 r12
E = E1 + E2 G. (2.150)
Trong Z Z
2 2

1 2 1 2
G = e2 dV1 dV2 = dV1 dV2 (2.151)
r12 r12
l nng lng tng tc tnh in gia cc in t. T (2.147), ta nhn thy
trong biu thc ca E1 , E2 u c mt nng lng tng tc gia cc in
t, do trong tng E1 + E2 , nng lng ny c tnh n hai ln. Nh
vy nng lng E ca h phi l E1 + E2 G. Nu h gm N in t, bng
lp lun tng t, ta thu c phng trnh t hp Hartree cho in t th
i trong trng thi lng t ni :
" #
~2 2 X Z |nk | 2
i + U (~ri ) + ei ek dVk ni = Eni ni . (2.152)
2m |~ri ~rk |
k
a) Phng php trng t hp Hartree-Fok
Phng php trng t hp c xt n s i xng hay phn xng ca

hm sng c gi l phng php trng t hp Hartree-Fok. Trong trng
hp n gin nht ca h hai in t, tt c php tnh trn u c chuyn
d dng cho hm sng i xng ho
1
s (1, 2) = [1 (1)2(2) + 2 (1)1 (2)] , (2.153)
2
1
a (1, 2) = [1 (1)2 (2) 2 (1)1(2)] . (2.154)
2
Trong php gn ng cp khng, trng thi c bn ca nguyn t
Hli, hai in t trng thi ng dng Hydro 1s. Trng thi ny c k
hiu ngn gn di dng (1s)2. Trong (... ) c nu trng thi in t, cn s

m nu s cc in t trong trng thi . Mt s biu din nh th c
gi l cu hnh in t. Trng thi kch thch th nht ca nguyn t Hli s
tng ng vi cu hnh (1s)1(2s)1. Cc hm sng s (1, 2) v a (1, 2) thuc
v s Young [2] v [1,1]. Hm sng ton phn (tch ca hm to v
hm spin) phi l phn xng, do hm to i xng s phi ng vi
trng thi c cc spin i song (spin ton phn bng khng), l cc para
trng thi ; cn hm sng to phn xng a ng vi trng thi spin c cc
spin song song (spin ton phn bng 1), do l cc ortho trng thi.
Trong php gn ng cp khng, cc para v ortho trng thi vi cu
hnh (1s)1(2s)1 c cng nng lng. Tuy nhin, nu xt n tng tc gia
cc in t, th nng lng ca cc trng thi ny s khc nhau: nng lng
ca para trng thi para hi ln hn nng lng ca ortho trng thi orth .
C th thy c iu t nhng nhn nh nh tnh n gin: T dng
para (1, 2) v orth (1, 2), suy ra rng khi hai in t c to trng nhau
th hm orth (1, 2) = 0 cn hm para (1, 2) cc i. Nh vy trong trng thi
orth (1, 2), cc in t thng xa nhau hn so vi khi chng trong trng
thi para (1, 2). Do nng lng y Coulomb trung bnh ca cc in t
trong trng thi orth (1, 2) b hn nng lng trong trng thi para(1, 2).
Th th s khc nhau v nng lng ca cc trng thi para v ortho ca
cu hnh (1s)1(2s)1 l h qu ca s tng giao trong chuyn ng ca cc
in t, xut hin t cc iu kin v tnh i xng ca cc hm sng i
vi s hon v cc to khng gian. Nu khng xt n tnh i xng ca
cc hm sng, th khng c s khc bit nng lng nh trn.
Chn hm a (c spin ton phn S=1) lm hm th sao cho hm ny
l gn ng tt nht vi hm thc. Dng nguyn l bin phn, ta xt
Z Z

min HdV vi dV = 1.
Bi ton rt v Z Z

H E dV1 dV2 = 0,
Z Z

H E dV1 dV2 = 0,
Thay = a v H bng biu thc trong (2.110) ri ly bin phn c lp

1 , 2 , ta thu c hai phng trnh

~2 2 2e2
E + H22 + G22 1(~r) [H21 + G12 ] 2 (~r) = 0, (2.155)
2m r

~2 2 2e2
E + H11 + G11 2(~r) [H12 + G12 ] 1 (~r) = 0, (2.156)
2m r
vi Z
e2
Gik (~r1 ) = i (~r2 )k (~r2 ) dV2 ,
r12
Z
~2 2 2e2
Hik = i k dV.
2m r
cc phng trnh (2.155), (2.156) thu c bng phng php trng t hp
Hartree-Fok. So snh chng vi cc phng trnh t hp Hartree (2.147), ta
nhn thy trong cc phng trnh Hartree-Fok c thm cc tch phn trao
i, l cc tch phn dng Gik . Phng php trng t hp c ng dng
rng ri tnh hm ring v nng lng ca cc nguyn t phc tp v
cho kt qu rt ph hp vi thc nghim. Tuy nhin, vic gii phng trnh
Hartree-Fok phi dng phng php tnh s v s dng my tnh.
57
Chng 3
L thuyt tn x lng t
S tn x l s va chm ca cc ht. y l mt qu trnh rt c bn

trong vt l vi m. y va chm c hiu l tng tc trong qu trnh
dch chuyn i vi nhau. trng thi ban u hai ht t khong cch rt
xa tin li gn nhau, trong qu trnh y tng tc lm thay i trng thi
chuyn ng ca chng. Sau qu trnh, hai ht li chuyn ng ri xa nhau
ra cho ti lc tng tc gia chng tr thnh khng ng k. Ta gi trng
thi ny l trng thi cui cng ca qu trnh tn x. Nu cc ht trng
thi cui cng ch khc vi trng thi u v xung lng m khng c thay
i v loi ht cng nh trng thi bn trong th tn x gi l tn x n
hi . Nu c s thay i v loi ht hoc v trng thi bn trong th tn x
c gi l tn x khng n hi .
Thng thng, thun tin, thay cho din bin ca qu trnh tn x
theo thi gian, ngi ta xt bi ton dng tng ng vi gi thit cho rng
c mt dng lin tc cc ht bay t v cc n tng tc vi tm tn x,
sau bin thnh mt dng cc ht tn x t tm bay ra mi pha. Mt
trong dng phi nh c th b qua tng tc gia cc ht ti. Trong
bi ton tn x dng, nu bit c trng lc tn x, ta s tnh c dng
cc ht tn x (ti khong cch v cng so vi tm tn x) nh l hm ca
dng cc ht ti.
3.1 Bin tn x v tit din tn x

3.1.1 Tit din tn x
S tn x c c trng bng tit din tn x vi phn d(, )
dNtx (, )
d(, ) = , (3.1)
jt
C hc lng t nng cao Ch.3: L thuyt tn x lng t 58
trong dNtx (, ) l s cc ht tn x trong mt n v thi gian trong gc

khi d(, ) ly theo phng (, ); jt l mt dng cc ht ti. Ta chn
trc z theo phng chuyn ng ca cc ht ti (hnh 3.1).
Gi jtx (r, , ) l mt dng cc ht tn x ti cc khong cch r ln
so vi tm tn x, ta c:
dNtx (, ) = jtx (r, , )dS,
trong dS l din tch vi cp vung gc vi bn knh vect vch t tm tn

x di cc gc (, ). ln ca dS v phn t gc khi tng ng d c
mi lin h
dS = r 2 d. (3.2)
Do , tit din tn x vi phn c xc nh bng cng thc
jtx jtx 2
d = dS = r d. (3.3)
jt jt
Trong c hc lng t, jtx v jt theo th t c gi l mt dng

xc sut tn x v mt dng xc sut ti.
T (3.3), ta thu c i lng
I
1 tx
= jtx (r, , )dSr = . (3.4)
jt Sr jt
c gi l tit din tn x hiu dng ton phn. Trong , dsr = r 2 d l

ln ca phn t din tch vi cp ti khong cch r so vi tm tn x ng vi
H
gc khi d; tx = jtx dSr l dng ht tn x qua mt mt kn bao quanh
tm tn x, mt ly tch phn c gi thit cch tm tn x, do c th
coi ti mi im ca mt ny, cc ht tn x bay theo phng xuyn tm.
Theo (3.4), tit din tn x hiu dng ton phn l t s gia xc sut
tn x ton phn ca ht (trong mt n v thi gian) v mt dng xc
sut trong chm ht ti.
Khi tng tc gia cc ht ch ph thuc vo khong cch gia chng,
th bi ton v chuyn ng ca hai ht c th quy v hai bi ton chuyn
ng mt ht: Mt bi ton xt chuyn ng ca mt ht vi khi lng rt
gn m = m1 m2 /(m1 + m2 ) i vi tm qun tnh. Cn bi ton th hai xt
chuyn ng t do ca tm qun tnh. Nghim ca bi ton th nht cho ta
gc tn x trong h tm qun tnh. Vic chuyn t h tm qun tnh sang
h phng th nghim c thc hin bng cc cng thc
m2 sin
tg1 = , 2 = , (3.5)
m1 + m2 cos 2
trong 1 l gc tn x ca ht th nht, 2 l gc git li ca ht th hai
c xc nh trong h phng th nghim, cn l gc lch ca ht th nht
trong h tm qun tnh. Trong chng ny, ta ch kho st s tn x trong
h tm qun tnh ca cc ht va chm.
3.1.2 Bin tn x
Chng ta xt bi ton tn x dng ca ht tn x ti tm ca trng
lc. Chn tm tn x c nh ti gc to . Trc z hng theo phng ca
cc dng ht ti.
xa tm lc, ht ti chuyn ng t do, do nng lng ca ht
bao gi cng dng, c ph lin tc do khng b lng t ho, hm sng ca
ht c dng sng phng
t = eikz . (3.6)
Tng tc ca ht vi tm lc c th c m t bng hm th U (r),
gi thit rng hm ny ch khc khng trong mt min khng gian hu hn
c r a , m ta gi l min tc dng lc. Trong min ny, ht b tn x, do
hm sng ca ht thay i.
Tuy nhin, sau ht tn x li bay ra xa khi tm lc, n li chuyn
ng t do. V dng ht tn x bao gi cng c phng i qua tm tn x,
nn chuyn ng ca ht tn x phi c m t bng mt sng cu phn
k
~
eik~r
tx = A(, ) , (3.7)
r
trong r, , l cc to cu; A(, ) c gi l bin tn x, ni
chung ph thuc vo gc , . Trong tn x n hi, k c gi tr nh nhau
trong cc biu thc (3.6) v (3.7).
3.1.3 Tn x n hi ca cc ht khng c spin
trong min tc dng ca lc chuyn ng (r a), ht tn x tun

theo phng trnh
~2 2
(~r) + U (~r)(~r) = E(~r), (3.8)
2m0
trong m0 l khi lng ca ht tn x. Chia hai v (3.8) cho ~2 /(2m0 ) v
chuyn v s hng th nht bn phi ca phng trnh, t
2m0 E ~p2
k2 = = , (3.9)
~2 ~2
ta suy ra dng mi ca (3.8)
2m0
2 + k 2 (~r) = 2 U (~r)(~r). (3.10)
~
Nghim ca phng trnh (3.10) ti cc khong cch xa so vi tm tn x
(r a U (~r) = 0), bng tng cc hm t v tx
~
ikz eik~r
=e + A(, ) . (3.11)
r
Trong biu thc (3.11), s hng th nht bn phi c vit trong to
Descartes, m t chuyn ng ca ht ti; cn s hng th hai c vit
trong h to cu m t chuyn ng ca cc ht tn x.
Mt dng ca cc ht ti
~
jt = (t t t t) . (3.12)
2m0 i
Do ch ph thuc vo z nn nu gi ~ez l vect n v theo phng z, th

~jt = ~~
e z t t

~~k
t t = = ~v0 , (3.13)
2m0 i z z m0
trong ~v0 l vn tc ht ti. R rng hm sng t c chun ho sao cho

mt dng cc ht ti v tr s bng vn tc ca ht ti v cc.
Gradient trong h to cu c xc nh bng cng thc
1 1
= ~er + ~e + ~e . (3.14)
r r r sin
Ta ch xt thnh phn xuyn tm ~jr ca dng ht tn x, nn

~jr = ~ ~~
e r tx

(tx
tx tx tx )=
tx tx tx . (3.15)
2m0 i 2m0 i r r
~
Thay tx = A(, )eik~r /r, ta thu c
~
~jr = ~k |A(, )|2 . (3.16)
m0 r 2
Th kt qu tnh c (3.13) v (3.16) vo (3.3), ta thu c biu thc cho
tit din tn x vi phn
dS
d(, ) = |A(, )|2 2
= |A(, )|2 d. (3.17)
r
Nh vy vic xc nh tit din tn x vi phn quy v vic tm bin tn
x. Vic tnh bin tn x thng c tin hnh nh sau: Tm nghim
ca phng trnh Schrdinger cho chuyn ng ca ht trong trng ca tm
tn x. Ti cc khong
cch xa tm, nghim c dng (3.11). Khi h s
ca nhn t exp i~k~r /r cho ta bin tn x cn tm.
Da vo phng php hm Green, c th vit nghim ca phng trnh
(3.10) di dng
Z
2m0
= 0 + G(~r, ~r0 ) 2 U (~r0 )(~r0 )d3 r 0 , (3.18)
~
trong G(~r, ~r0 ) l hm Green m ta s xc nh sau, cn 0 l nghim ca
phng trnh khng c v sau

2 ~ 2
+ k 0 = 0,
nghim ca phng trnh ny c dng sng phng exp(i~k~r) = exp(ikz). t

F (~r) = (2m0 U/~2 )(~r), phng trnh (3.10) tr thnh

2 ~ 2
+ k (~r) = F (~r), (3.19)
t Z
(~r) = A~q~qd3 q, (3.20)
V~q
trong
ei~q~r
~q(~r) = . (3.21)
(2)3/2
Coi ~q l mt vect no vi cc thnh phn qx , qy , qz cn d3 q = dqx dqy dqz .
H hm ~q(~r) l mt h hm trc chun, ngha l
Z
~q0 (~r)~q(~r)d3 r = (~q0 ~q). (3.22)
tm A~q, ta thay (3.21) vo v tri ca (3.19)

Z Z
2
+ ~k
2 2 3
A~q~qd q = (A~q~q (~r)) + k 2 A~q~q (~r) d3 q. (3.23)
Dng (3.19) v ch rng dng tn x xuyn tm nn
2 i~
q~r
2 i~q~r
e = 2 e = q 2 ei~q~r ,
~r
ton t 2 = ( 2 )/(~r2 ) khng tc dng ln A~q(, ), ta vit li (3.23)
Z 1
Z
2
+k ~ 2 3
A~q~qd q = ~
+ k A~qei~q~r d3 q.
2 2
(3.24)
(2) 3/2
Theo phng trnh (3.19) tr thnh

Z
1 2 2
i~q~r 3
A q
~ k q e d q = F (~r). (3.25)
(2)3/2
1
Nhn hai v (3.25) vi ~q0 (~r) = (2)3/2
exp(i~q0~r) ri ly tch phn theo d3 r
trn ton vng gi tr ca ~r, ta c
Z Z
1 2 2
i(~q~q0 )~r 3 3 1 i~q0~r 3
A q
~ k q e d qd r = F (~
r )e d r,
(2)3 (2)3/2
Z Z Z
1 0 1 0
3
A~q k 2 q 2 ei(~q~q )~r d3 qd3 r = A~q k 2 q 2 3
ei(~q~q )~r d3 r d3 q,
(2) (2)
Z

= A~q k 2 q 2 (~q ~q0 ) d3 q,

= A~q0 k 2 q 02 ,
Theo (3.25) tr thnh
Z
2 02
1 0
A~q0 k q = F (~r)ei~q ~r d3 r,
(2)3/2
hay Z
1 1 0
A~q0 = F (~r)ei~q ~r d3 r,
(2)3/2 k 2 q 02
chuyn q~0 thnh ~q ta c biu thc cho bin tn x
Z
1 1
A~q = 3/2 2 2
F (~r)ei~q~r d3 r (3.26)
(2) k q
Thay kt qu tnh c ny vo (3.20) v lu (3.21), ta c
Z Z i~
q~r
1 1 q~r0 e
0 i~
(~r) = 3/2 2 2
F (~r )e 3/2
d3 qd3 r 0 , (3.27)
(2) k q (2)
R
Lu rng ~r0 trong ...d3 r 0 l bin tch phn, cn ~r trong (~r) l to ca
hm . T (3.27), ta vit c
Z Z i~q(~r~r0 )
1 e
(~r) = F (~r0 ) 3 2 2
d3 q d3 r 0 . (3.28)
(2) k q
t Z 0
1 ei~q(~r~r ) 3
G(~r, ~r0 ) = d q, (3.29)
(2)3 k2 q2
th (3.28) c th vit li thnh
Z
(~r) = F (~r0 )G(~r, ~r0 )d3 r 0 . (3.30)
By gi ta xt ngha hm Green.
Dng ca (~r) tu thuc vo dng ca s hng F (~r0 ), cn hm Green
G(~r, ~r0 ) l mt hm c th tnh c. C th nu cho
F (~r0 ) = (~r0 ~r0 ),
th Z
(~r) = (~r0 ~r0 )G(~r, ~r0 )d3 r 0 = G(~r, ~r0 ).
Nh vy, hm Green G(~r, ~r0 ) l nghim ca phng trnh

2 + k 2 (~r) = (~r ~r0 )
Biu thc ca hm Green theo (3.29) c dng
Z i~q(~r~r0 )
0 1 e
G(~r, ~r ) = 3 2 2
d3 q,
(2) k q
vect ~q th hin bin tch phn, ~r, ~r0 l hai bn knh vect tu . Ta chn
thnh phn ~qz trng phng vi ~r ~r0 , cn d3 q = q 2 dq sin dd
~q(~r ~r0 ) = q|~r ~r0 | cos = q cos ,
trong ta t = |~r ~r0 |. Do
Z Z Z iq cos
0 1 e 2 eik
G(~r, ~r ) = q sin dqdd = ,
(2)3 k2 q2 4
0
0 eik|~r~r |
G(~r, ~r ) = . (3.31)
4|~r ~r0 |
Vy (3.30) by gi c th vit
Z ik|~r~r0 |
1 e
r (~r) = F (~r0 ) 0
d3 r 0 . (3.32)
4 |~r ~r |
y l nghim ring ca phng trnh Schrdinger c v sau. Nghim tng
qut ca phng trnh l tng ca hai nghim
Z ik|~r~r0 |
ikz ikz 1 0 e
(~r) = e + r (~r) = e F (~r ) 0
d3 r 0 . (3.33)
4 |~r ~r |
Xt trng hp min tc dng ca lc l mt h c kch thc nh

|~r | |~r|, ti min U (~r0 ) 6= 0, ngoi min U (~r0 ) = 0. T hnh v 3.2,
0
ta c |~r ~r0 | = r r 0 cos v
0 ~r.~r0 0 ~r.~r0
r cos = nn |~r ~r | r
r r
Do

Z r0
ik r ~r.~
1 e r
(~r) = eikz + r (~r) = eikz F (~r0 ) ~r.~r0

d3 r 0 . (3.34)
4 r r
Nu ta xem |~r ~r0 | r v gi ~n = ~r/r, ~k.(~r/r) = k~n = ~kr l vect

sng hng theo phng bn knh vect, n c trng cho phng truyn
sng ca sng cu phn k. V tn x n hi nn |~kn | = k. Thay F (~r0 ) =
(2m0 U/~2 )(~r0 ) v cc khai trin trn vo (3.33), ta c
~ Z
ikz eik~r 2m0 U (~r0 ) 0 i~k~r0 3 0
(~r) = e (~
r )e d r, (3.35)
4r ~2
hay
~
ikz eik~r
(~r) = e + A(, ) , (3.36)
r
trong Z
m0 ~ 0
A(, ) = U (~r0 )(~r0 )eik~r d3 r 0 . (3.37)
2~2
V mt l thuyt, nu bit c bin tn x A(, ), ta s tnh c tit
din tn x hiu dng. Mt khc, trong A(, ) c th nng tng tc U (~r),
do nu bit c U (~r) ta s tnh c A(, ) v tnh c tit din vi
phn d. V mt thc nghim, ta o c d, nn tnh c bin tn x
A(, ), t tnh c th nng U (~r). l phng php thc nghim
kho st nhng th nng tng tc U (~r) cha bit.
3.2 Tn x n hi trong php gn ng Born

Tuy tm c biu thc tim cn ca hm sng, nhng vn cha
thu c dng c th ca bin tn x. Thc vy, theo cng thc (3.37),
bin tn x li c biu din qua hm sng (~r). Vic gii chnh xc
phng trnh Schrdinger v vic tm A(, ) trong phn ln cc bi ton
u gp kh khn v mt ton hc. Do , trong l thuyt nhiu lon ngi

ta dng rng ri cc phng php gn ng. Mt trong nhng php gn
ng quan trng nht l phng php gn ng Born. Gi thit c bn ca
phng php ny l ch coi th nng tng tc U ca ht tn x vi tm
trng lc l nh. Do c th coi th nng tng tc U nh mt nhiu lon
nh, theo chuyn ng ban u ca ht t thay i, phng trnh tch
phn (3.35) c th gii c d dng bng phng php gn ng lin tip.
Trong php gn ng cp khng, ta b qua s hng ca hm sng c
cha th nng:
~
0 (~r) = eikz = eik0~r , (3.38)
trong ~k0 = k~n0 = k~ez . Trong php gn ng cp mt, thay cho hm sng
v phi ca (3.35), ta a vo hm sng cp khng 0 (~r). Ngha l:
~ Z
ikz m0 eik~r ~ ~ 0
(~r) = e U (~r0 )ei(k0k)~r d3 r 0 , (3.39)
2~2 r
Trong php gn ng cp mt ny, bin tn x bng
Z
m0 0 i~~r0 3 0
A(, ) = U (~
r )e d r, (3.40)
2~2
trong ta k hiu
~ = ~k0 ~k. (3.41)
T hnh v 3.3, mun ca vect va chm ~ c xc nh bng h

thc
2m0 v
= k|~n ~n0| = 2k sin = sin . (3.42)
2 ~ 2
Mt cch tng ng, vect P~ = ~~ c gi l vect truyn xung lng. Nu

th nng khng ph thuc vo cc gc, ngha l U = U (r) th trong (3.40)
c th thc hin php ly tch phn theo cc gc
Z Z Z 2
m0 0 02 0 ir0 cos
A(, ) = U (r )r dr e sin d d,
2~2 0 0 0
Z
2m0 0
0 sin(r ) 02 0
A(, ) = 2 U (r ) r dr . (3.43)
~ 0 r 0
Trong php gn ng cp mt, bin tn x c xc nh bng th
nng lu tha mt. Trng hp ang xt c th nng i xng cu, bin
tn x khng ph thuc vo gc . Thay biu thc (3.40) vo (3.17), ta c
biu thc ca tit din tn x vi phn c gi l cng thc Born:

2 Z
2
m
d = |A(, )|2d = 20 4 U (r 0 )ei~~r d3 r 0 d
0
4 ~ 0
Z 2
4m20 0
0 sin(r ) 02 0

d = 4 U (r ) r dr d. (3.44)
~ 0 r 0
Cng thc ny c ng dng nhiu trong vt l ht nhn.
Trng hp gi tr nh ca gc tn x th
Z 2
4m20
0 02 0
d = 4 U (r )r dr d (3.45)
~ 0
khng ph thuc vo vn tc ht.

Tip tc cc php tnh gn ng k tip, ngha l thay (3.39) vo v
phi ca (3.35), ta c th tm c hm sng v bin tn x trong php
gn ng cp hai, c xc nh bi tch phn ca bnh phng th nng
tng tc. Mt cch tng t, ta c th tm c cc hiu chnh vi cc cp
tip theo.
By gi, ta xt iu kin c th ng dng c cng thc Born. Th
nng tng tc ca ht tn x vi trng tn x trong php gn ng Born
c gi thit l nh v c th xem nh l mt nhiu lon. T (3.10), ta c
th chng minh c rng th nng U (~r) c xem l nhiu lon nu mt
trong hai iu kin sau c thc hin:
~2
|U | (vi ka 1) (3.46)
m0 a2
hay
~v ~2
|U | = ka (vi ka 1), (3.47)
a m0 a2
trong a l bn knh tng tc ca trng U , cn U c cp ln ca
trng trong min tn ti c bn ca n.
Biu thc ~2 /(m0 a2 ) v cp ln bng su cc tiu ca ging th
bn knh a, ti c xut hin mc nng lng. T rt ra ngha n
gin ca iu kin c th ng dng c php gn ng Born cho cc ht
tn x chm. C th t iu kin (3.46), suy ra rng nng lng tng tc
trung bnh phi nh so vi th nng cc tiu ca ht trong ging th, ti
c hnh thnh trng thi lin kt. Khi iu kin (3.46) c thc hin, php
gn ng Born c ng dng cho tt c cc vn tc.
3.3 Phng php sng ring phn

Ngoi l thuyt gn ng kho st, ngi ta cn pht trin mt l
thuyt tn x chnh xc gi l l thuyt tn x pha hay l thuyt tn x cc
sng ring phn. Trong l thuyt ny, ngi ta khng c mt gi thit no
cho th nng tng tc U . V vy, n c ng dng vi mi gi tr nng
lng ca cc ht tn x. S chung ca l thuyt tn x cc sng ring
phn khng khc vi s m t trong cc tit trc. Hm sng ca ht
tn x xa tm c dng
~
ikz eik~r
(~r) = e + A() , (3.48)
r
do trng tn x i xng xuyn tm theo phng z nn bin tn x
khng th ph thuc vo gc . C hm sng cng khng ph thuc vo
. Tuy U (~r) = U (r), nhng nghim ca phng trnh Schrdinger ca h
khc vi nghim ca hm sng trong trng xuyn tm ch l y chng
ta ch xt chuyn ng v hn v cc nghim phi tho mn cc iu kin
bin sao cho dng iu ca nghim (vi r ) phi c xc nh bi cng
thc (3.48).
Ta bit trong trng i xng xuyn tm, nghim tng qut ca
phng trnh Schrdinger c dng
X
(r, , ) = b`m R` (r)Y`m (, ), (3.49)
`,m
trong b`m l cc h s khng i xc nh bng cc iu kin bin v iu

kin chun ho. Do khng ph thuc vo gc nn hm sng ch cn li cc
s hng trong tng c m = 0, ngha l ch c cc hm cu
r
2` + 1
Y`0 () = P` (cos ), (3.50)
4
trong P` (x) l a thc Legendre xc nh bi cng thc
1 d` 2 `

P` (x) = (x 1) . (3.51)
`!2` dx`
Do cng thc (3.49) tr thnh
X
(r, ) = b` R` (r)P` (cos ). (3.52)
`
Mi s hng trong tng (3.52) c gi l sng ring phn th `. Nh vy,

mi nghim ca phng trnh (3.10) trong trng hp ny c th c biu
din di dng chng cht cc hm sng ca ph lin tc (chuyn ng v
hn), tng ng vi chuyn ng trong trng cho ca cc ht c nng
lng (~2 k 2 )/(2m0 ) vi cc gi tr ` khc nhau ca mmen qu o c hnh
chiu m = 0.
Dng tim cn ca (r, ) khi r l

X a` sin (kr + ` `/2)
(r , ) b` P` (cos ) .
r
`=0
a k hiu b` a` = C` /k, cng thc trn tr thnh

X sin (kr + ` `/2)
(r , ) C` P` (cos ) . (3.53)
kr
`=0
Khai trin hm exp(ikz) trong (3.48) theo cc a thc Legendre, ta c

X
ikz ikr cos
e =e = f` (r)P`(cos ). (3.54)
`=0
tnh c f` (r), ta i bin s x = cos , (3.54) tr thnh

X
ikz ikrx
e =e = f` (r)P` (x). (3.55)
`=0
Nhn P`0 (x) vi (3.55) ri ly tch phn theo x, ta c

Z 1 X Z 1
X
ikrx 2 2
e P`0 (x)dx = f` (r) P`0 (x)P` (x)dx = f` (r) ``0 = f`0 (r) 0 .
1 1 2` + 1 2` + 1
`=0 `=0
Suy ra: Z 1
2` + 1
f` (r) = P` (x)eikrxdx. (3.56)
2 1
Php tnh v phi ca (3.56) vi r ln cho ta kt qu
2` + 1 i`/2 ei(kr`/2) ei(kr`/2)
f` (r) = e ,
2 ikr
sin(kr `/2)
f` (r) = i` (2` + 1) . (3.57)
kr
Nh vy

X
ikz sin(kr `/2)
e = i` (2` + 1) P` (cos ). (3.58)
kr
`=0
Trong s hng th hai v phi ca biu thc hm sng (3.48), ta khai

trin bin tn x A() theo cc a thc Legendre. Khai trin c dng:

X
A() = g` P` (cos ), (3.59)
`=0
trong g` l cc hng s. Thay cc biu thc (3.58) v (3.59) vo (3.48), ta

thu c cng thc tim cn sau y cho hm ca ht tn x

X X ~
` sin(kr `/2) eik~r
(r, ) = i (2` + 1) P` (cos ) + g` P` (cos ) . (3.60)
kr r
`=0 `=0
Biu din hm sin tr li hm e m v i` = exp(i`/2) ri cn bng hai biu

thc (3.60) v (3.53), ta tnh c
2` + 1 2i`
g` = e 1 , (3.61)
2ik
trong ` l gc pha ng vi sng ring phn th `. Cui cng, thay biu
thc (3.61) vo (3.59), ta c cng thc cho bin tn x

1 X
A() = (2` + 1) e2i` 1 P` (cos ), (3.62)
2ik
`=0
v suy ra tit din tn x vi phn

2
1 X

2i`
d() = 2 (2` + 1) e 1 P` (cos ) d. (3.63)
2k
`=0
Tit din tn x hiu dng ton phn thu c bng cch ly tch phn
(3.62) theo ton b gc khi 4. Vi
d = 2 sin d = 2d(cos ),
ta c
Z Z (X

)
4
1
= d = 2 (2` + 1) e2i` 1 P` (cos )
0 4k
`=0
(

)
X
(2`0 + 1) e2i`0 1 P`0 (cos ) 2 [d(cos )]
`0 =0

2 X
(2i)
= (2` + 1)(2`0 + 1) e2i` 1
k2
`,`0 =0
Z
2i`0
1
e 1 (2) P` (x)P`0 (x)dx
1
i vi cc a thc Legendre, ta c tnh cht
Z 1
2
P` (x)P`0 (x)dx = ``0 .
1 2` + 1
Nn kt qu trn c th vit li

X
= 2 (2` + 1) e2i` 1 e2i`0 1 ,
k
`=0

(2i)2 X ei` (ei` ei` )ei` (ei` ei` )
= (2` + 1) .
k2 (2i)2
`=0
Chuyn sang hm sin, ta c cng thc

4 X
= 2 (2` + 1) sin2 ` . (3.64)
k
`=0
Ta gi tit din tn x ring phn

4
` = 2
(2` + 1) sin2 ` , (3.65)
k
th tit din tn x ton phn l tng ca cc tit din tn x ring phn

X
= ` . (3.66)
`=0
Gi tr cc i ca tit din tn x ring phn ca ht c mmen `

4
(` )max = (2` + 1). (3.67)
k2
Vic tnh pha thng rt kh khn. Tnh thc t ca cc cng thc (3.64)
v (3.65) cng r rt khi s cc s hng ca chui theo ` gi vai tr ch yu
cng t, ngha l cc chui hi t cng nhanh. Khi nng lng ca ht tng
ln th mmen ca cc ht tn x tng. Nh vy, s s hng ca chui gi
vai tr ch yu cng t khi nng lng ht tn x cng b (tng chm). Do
, l thuyt tn x cc sng ring phn c bit quan trng cho vic nghin
cu cc ht tn x chm.
Cn v hm sng, thay (3.61) vo (3.60), ta thu c biu thc tim
cn (r ) cho hm sng

X sin(kr + ` `/2
(r, ) = (2` + 1)ei(` +`/2) P` (cos ) ,
kr
`=0

1 X eikr
eikr
(r, ) = (2` + 1)P` (cos ) (1)` e2i` . (3.68)
2k r r
`=0
S hng th nht trong du ngoc vung ca cng thc (3.68) biu din sng
cu hi t vi bin (1)` , cn s hng th hai biu din sng cu phn
k vi bin S` = e2i` . Mun ca c hai bin u bng n v. Do ,
hm m t tn x n hi c dng sng ng to bi chng cht cc sng
cu hi t v sng cu phn k.
Theo cng thc ca hm sng nh trn, ta thu c mt dng xc
sut tng ng vi sng hi t bng
ikr ikr ikr
ikr
~js = ~ ` 2 e e e e ~k
|(1) | = ~er , (3.69)
2mi r r r r 2m0 r 2
trong ~er l vec t n v ca bn knh vec t ~r.

Tng t, ta thu c biu thc cho mt dng xc sut tng ng
vi sng phn k bng
~jpk = ~k ~er . (3.70)
m0 r 2
R rng hai vec t mt dng ~js , ~jpk ch khc nhau v hng. Do , dng
xc sut tng ng vi hm sng (3.68) gi qua mt mt bt k , k c qua
mt cu bn knh R u bng khng. iu ni ln rng, trong tn x n
hi s ht bay i t tm tn x bng s ht bay hng v tm .
74
Chng 4
C hc lng t tng i tnh
Cc chng trc nghin cu nhng tnh cht ca cc ht vi m c

khi lng ngh khc khng v chuyn ng vi vn tc rt nh so vi vn
tc ca nh sng c trong chn khng. Cc vi ht ny tun theo phng trnh
Schrdinger. l phng trnh c bn ca c hc lng t c in. Nh cc
my gia tc hin i, vn tc ca cc vi ht c khi lng ngh c tng
tc n vn tc gn vn tc nh sng. Trong trng hp ny, c hc lng
t c in vi phng trnh Schrdinger khng cn s dng c na. Hn
na, mt thiu st ca phng trnh Schrdinger l khng xt n spin ca
cc vi ht. Trong c hc lng t c in, phng trnh Schrdinger cho ht
chuyn ng t do c khi lng m0 c suy t mi tng quan c in:
p2
H= . (4.1)
2m0
Nu thay

H H = i~ ; ~p ~p = i~ = i~ ~i + ~j + ~k . (4.2)
t ~r x y z
Ta tm c phng trnh Schrdinger
~2 2
i~ = . (4.3)
t 2m0
T phng trnh ny, ta suy ra c phng trnh lin tc cho vect mt
dng xc sut
w
+ ~j = 0, (4.4)
t
trong
i~
w = ||2 0 v ~j = ( ) (4.5)
2m0
C hc lng t nng cao Ch.4: C hc lng t tng i tnh 75
4.1 Phng trnh Klein-Gordon (K-G)

Theo thuyt tng i Einstein cc phng trnh m t cc quy lut
vt l phi bt bin tng i tnh, ngha l phi bt bin vi php quay
trong khng gian bn chiu Minkowski (hay vi php bin i Lorentz).
Cc phng trnh ch bt bin khi chng c m t di dng cc phng
trnh bn chiu. Cc phng trnh (4.3) v phng trnh (4.4), (4.5) khng
tho mn yu cu ny v s tham gia php ly o hm theo bn to
x1 = x; x2 = y; x3 = z; x4 = ict trong cc phng trnh khng cng cp.
thu c phng trnh lng t tng i tnh cho ht vi m chuyn
ng t do c vn tc ln, ta phi tm biu thc c in ca Hamiltonian
(4.1) bng biu thc tng i tnh ca n
H 2 = c2 p2 + m20 c4 . (4.6)
Theo , phng trnh lng t tng i tnh c th c vit
2
2
2 2 2 2 4

~ = c ~ + m 0 c (4.7)
t2
hay
1 2 m20 c2
2
2 2 2 = 0. (4.8)
c t ~
Ta a vo ton t dAlembert
2 1 2 2 2 2 2
2 2
= 2 2 2 = 2 + 2 + 2 + 2, vi = 1, 2, 3, 4.
x c t x1 x2 x3 x4
(4.9)
Theo , (4.8) c th vit li

m20 c2
2 2 = 0. (4.10)
~
Ton t 2 m20 c2 /~2 c gi l ton t Klein-Gordon, v phng trnh
(4.10) c gi l phng trnh Klein-Gordon. y l phng trnh bt bin
tng i tnh v ton t Klein-Gordon l ton t v hng bn chiu.
Ta tm ngha vt l ca phng trnh Klein-Gordon (4.10). Mun
vy, ta nhn hai v ca phng trnh (4.8) vi v nhn hai v ca phng
trnh lin hip phc ca (4.8) vi ri tr kt qu cho nhau, ta thu c:

1
2
= ( ) . (4.11)
c t t t
Nhn hai v phng trnh trn vi ie~/(2m0 ) v a vo mt in tch

ie~
we = 2
(4.12)
2m0 c t t
v mt dng in
~je = i~ ( ) , (4.13)
2m0
ta thu c
we
+ ~je = 0. (4.14)
t
Trong trng hp c in, v c E = m0 c2 1 + v 2 /(2c2 ) + ... gip cho
ta rt ra c t (4.12) biu thc we w = e||2 hon ton ph hp vi
phng trnh c lng t c in (4.5).
Tuy nhin, t mt in tch we c th suy ra mt xc sut
wm = we /e

i~
wm = 2
, (4.15)
2m0 c t t
i lng ny c cha v ()/(t) l nhng i lng c lp nn n c
th dng hoc m, cho nn n khng th c coi l mt ht c.
4.2 Phng trnh Dirac

Phng trnh K-G gp kh khn v mt xc sut m, cn phi trnh
cc o hm theo thi gian trong biu thc ca wm . Nh vy, bn thn hm
sng ch c cha o hm bc nht theo thi gian. Do yu cu ca thuyt
tng i th c cc o hm theo khng gian cng phi bc nht. Mt khc,
nguyn l chng cht cc trng thi cng i hi phng trnh phi tuyn
tnh. Do , phng trnh sng cn phi tm phi l mt phng trnh vi
phn tuyn tnh theo thi gian v theo cc to khng gian.
Trn c s nhng nhn nh nh vy, Dirac a ra phng trnh
sau y m t chuyn ng ca mt ht t do

i~ = x0 + y0 + z0 + 00 . (4.16)
t x y z
thun tin, ta vit

i~ = x px + y py + z pz + 0 , (4.17)
t
trong px , py , pz l cc ton t hnh chiu xung lng ~p trn cc trc to

, cn cc ton t x , y , z khng cha to . Tnh cht ca cc ton t
i (i = x, y, z) s xc nh sau. a vo k hiu
H = x px + y py + z pz + 0 (4.18)
Phng trnh (4.17) c dng

i~ = H. (4.19)
t
Nu H thc s l Hamiltonian, th theo l thuyt tng i, ta c

H 2 = c2 p2x + p2y + p2z + m20 c4 . (4.20)
Bnh phng (4.18) v i chiu vi (4.20), ta c
x2 = y2 = z2 = c2 ; 02 = m20 c4 ;
i j + j i = 0, i 6= j v i 0 + 0 i = 0; i, j = x, y, z.
t
i = ci v 0 = m0 c2 , (4.21)
ta c
i + i = 0; 2i = 2 = 1,
(4.22)
i j + j i = 0 vi i 6= j.
Da vo (4.21) v (4.22), phng trnh (4.17) c th c vit li
h 2
i
i~ = c (x px + y py + z pz ) + m0 c , (4.23)
t
y l phng trnh Dirac. Nu t
~ = x~i + y~j + z~k,

th (4.23) tr thnh

i~ = H ~ p~ + m0 c2 .
vi H = c (4.24)
t
By gi chng ta i tm dng c th ca cc ton t x , y , z v .
Chng ta th tm cc ton t di dng tp hp cc hng s, ni chung
l phc, ngha l di dng cc ma trn vung c dng

a11 a12 ... a1n
a21 a22 ... a2n
x =
... ... ... ...
an1 an2 ... ann
Trc ht cn xc nh s n. Cc ma trn v u c cng s chiu

n. Mun xc nh n, ta cn i ng cc ma trn v vi cc nh thc
tng ng ca chng.
Ta nh li mt tnh cht ca cc nh thc
det(x ) = det(x ).det(). (4.25)
T cc quy tc giao hon (4.22), ta c th vit
x = x = I x
trong I l ma trn n v cp n. Dng h thc (4.25), ta c

det(x ) = det(x )det() = det()det(x ) = det(I)det()det(x )
v cc nh thc l mt s phc nn giao hon c, do
det(I) = 1 (1)n = 1 : n chn (4.26)
a) Trng hp n = 2: Cc ma trn cn tm l hng 2. Chng ta gp

cc ma trn hng 2, l cc ma trn Pauli

0 1 0 i 1 0 1 0
x = ; y = ; z = ; I2 = . (4.27)
1 0 i 0 0 1 0 1
Tuy nhin, cc ma trn ny khng tho mn cc iu kin phn giao hon

(4.22), do khng phi l cc ton t i v cn tm.
b) Trng hp n = 4: Ta c th xy dng c cc ma trn vi cc
tnh cht c yu cu (4.22). l cc ma trn do Dirac a ra nh sau

0 0 0 1 0 0 0 i
0 0 1 0 0 0 i 0
x =
0 1 0 0
; y =
0 i 0 0 ;

1 0 0 0 i 0 0 0

0 0 1 0 1 0 0 0
0 0 0 1 0 1 0 0
z =
1 0
; = . (4.28)
0 0 0 0 1 0
0 1 0 0 0 0 0 1
Dng cc ma trn Pauli, ta c th vit gn hn

0 x 0 y 0 z I2 0
x = ; y = ; z = ; = .
x 0 y 0 z 0 0 I2
(4.29)
D dng nghim li c rng, cc ma trn i , l cc ma trn hermitic,
ngha l nu chuyn v cc ma trn ri ly lin hip phc, ma trn tr li vi
ma trn ban u
+
x = x ; +
y = y ; +
z = z ; + = . (4.30)
Vi vic a vo cc ma trn hng 4 ny, phng trnh Dirac m t c
tnh cht ca cc ht c spin 1/2. ng vi n > 4 s l thuyt vn khng
b ph hu.
By gi, vi n = 4, v cc ma trn Dirac hng 4 chn nh trn, hm
sng ca h vi m c th c m t bi mt lng spin Dirac

1
2
=
3 . (4.31)
4
Theo , cc phng trnh (4.23) c th c vit li

1 1

2 h i 2
i~ = c (x px + y py + z pz ) + m0 c
2
3

t 3
4 4

1
0 0 0 p x 0 0 0 ip y

0 0 p 0 0 0 ip 0
i~ 2
= c x + y
t 3
0 px 0 0 0 ipy 0 0

4 px 0 0 0 ipy 0 0 0

0 0 pz 0 1 0 0 0 1
0 0
0 pz
+ m0 c2 0 1 0 0
2
+
pz 0 0 0 0 0 1 0

3

0 pz 0 0 0 0 0 1 4
Suy ra

1
i~ t m0 c2 0 cpz c(px ipy ) 1
2
i~ t 0 m0 c 2
c(px + ipy ) cpz 2

3 = 3
i~ t cpz c(px ipy ) m0 c2 0
i~
t
4
c(px + ipy ) cpz 0 m0 c2 4
Do , ta rt ra c

i~
t
1
= c(px ipy )4 + cpz 3 + m0 c2 1

2
i~
t
2
= c(px + ipy )3 cpz 4 + m0 c 2
. (4.32)
i~ 3
= c(px ipy )2 + cpz 1 m0 c2 3

t
i~
t
4
= c(px + ipy )1 cpz 2 m0 c2 4
D dng m rng phng trnh Dirac sang trng hp ht mang in chuyn

~ v
ng trong trng in t. Mun vy, thay ton t ~p bng ~p (e/c)A
~ theo th t l th vect v
thm ton t e vo ton t H, trong A,
th v hng ca trng in t. Ta thu c phng trnh Dirac cho ht
in vi m chuyn ng trong trng in t
h e ~ 2
i
i~ = c~ ~p A + e + m0 c . (4.33)
t c
Mun a phng trnh Dirac v dng i xng hn, ta nhn bn tri (4.33)
vi ton t
h e ~ 2 2
i
i~ ~ p~ A + e + m0 c ,
= c (4.34)
t c
v a vo cc ma trn sau
1 = i x ; 2 = i y ; 3 = i z ; 4 = .
Cc ma trn i (i = 1, 2, 3, 4) tho mn h thc giao hon
i k + k i = 2ik . (4.35)
Da vo cc ma trn i , ta c th vit li phng trnh Dirac (4.23)

X
3
m0 c 4
i + + = 0, (4.36)
i=1
xi ~ ic t
vi lu x4 = ict, ta vit c phng trnh Dirac di dng bn chiu ca

ht chuyn ng t do
m0 c
+ = 0, (4.37)
x ~
trong s hng u l php ly tng theo = 1, 2, 3, 4.
Cn trong trng hp ht chuyn ng trong trng in t, ta a
vo ton t p = (~/i)(/x ) v th bn chiu A (Ax , Ay , Az , i/c), ta c
th vit li (4.33) di dng
h e i
p A im0 c = 0. (4.38)
c
4.3 Mt xc sut v mt dng xc sut trong l

thuyt Dirac
Ly lin hp hermitic phng trnh Dirac (4.24)
2

i~ = i~c ~ + m0 c , (4.39)
t
ta c phng trnh
+
i~ ~ + + m0 c2 + + ,
= i~c + (4.40)
t
~ v l hermitic, nn ta c
V cc ton t
+
i~ ~ + m0 c2 + ,
= i~c + (4.41)
t
Nhn bn tri phng trnh (4.39) vi + v nhn bn phi phng trnh
(4.41) vi , sau ly phng trnh th nht tr vi phng trnh th hai,
v theo v, ta c:
h i
+ + + +
i~ + = i~c ~ + ~ . (4.42)
t t
T php bin i
~ ) = (
( ~ ) +
~ = (
~ ) ~ = 0.
v
nn

+
( +
~ ) + +
~ = ( +
~ ) + +
~ =
~ ,
v v tri
+
+ + = +
t t t
Suy ra phng trnh (4.42) tr thnh

+ +
= ~ . (4.43)
t
t
w = + v ~ .
~j = c + (4.44)
Phng trnh (4.43) c vit li di dng
w
+ div~j = 0 (4.45)
t
Trong i lng

1
2
w = + = (1 2 3 4 ) 2 2 2 2
3 = |1 | + |2 | + |3 | + |4| 0 (4.46)
4
l mt i lng khng m nn c gi l mt xc sut tng i tnh.

Cn ~j c gi l mt dng xc sut tng i tnh cho ht c hm sng
.
Nh vy cng nh trong l thuyt Schrdinger, hm sng c ngha
xc sut thng thng. T tnh cht tuyn tnh ca phng trnh Dirac v
ngha xc sut ca hm sng , ta rt ra rng cc lun im c bn ca
c hc lng t vn cn gi tr trong l thuyt ca Dirac, c th l:
1. i lng |Cm (t)|2, trong Cm (t) l h s khai trin ca hm sng
theo h hm ring {m (~r, t)} ca mt ton t hermitic no
X
(~r, t) = Cm (t)m (~r, t),
m
vn c hiu l xc sut o c mt tr ring no .

2. Gi tr trung bnh c xc nh bng
Z
L = + LdV
4.4 Nghim ca phng trnh Dirac i vi ht chuyn

ng t do
Xt phng trnh Dirac ca ht vi m chuyn ng t do
2

i~ = c ~ p~ + m0 c . (4.47)
t
Thay = exp(iEt/~)0 vo (4.47), ta thu c phng trnh cho hm
sng 0 khng ph thuc thi gian

c 2
~ p~ + m0 c 0 = E0 . (4.48)
Ta xt cc trng thi c xung lng ~p xc nh v tm nghim ca

phng trnh (4.48) di dng sng phng

~p~r
0 = u exp i , (4.49)
~
trong u l spin bn thnh phn

u1
u2
u=
u3 (4.50)
u4
vi u1 , u2 , u3 , u4 l cc hng s, cn cc thnh phn ca ~p ch l cc con s.
Th 0 (4.49) vo (4.48), ta thu c phng trnh

Eu = c 2
~ p~ + m0 c u. (4.51)
T rt ra h cc phng trnh

Eu1 = m 0 c 2 u1 + c(px ipy )u4 + cpz u3

Eu2 = m 0 c 2 u2 + c(px + ipy )u3 cpz u4
(4.52)
Eu3 = m0 c2 u3 + c(px ipy )u2 + cpz u1

Eu4 = m0 c2 u4 + c(px + ipy )u1 cpz u2
thun nht i vi bn n khng i ui (i = 1, 2, 3, 4). nghim ca h

khng tm thng th nh thc

m0 c2 E 0 cp c(p ipy
)
z x
0 2
m0 c E c(px + ipy ) cpz

cpz c(px ipy ) m0 c2 E 0 =0 (4.53)

c(px + ipy ) cpz 0 m0 c2 E
quy v dng
E 2 c2 p2 m20 c4 = 0
hay
E 2 = c2 p2 + m20 c4 . (4.54)
T y suy ra cc tr ring suy bin hai ln ca E
q
E+ = c2 p2 + m20 c4 , (4.55)
q
E = c2 p2 + m20 c4 . (4.56)
Vy ng vi mi gi tr xung lng xc nh ca p~, c gi tr nng
lng suy bin hai ln E+ v gi tr nng lng suy bin hai ln E .
S suy bin ca cc gi tr ring ca nng lng E+ , E c on
nhn l s khng ph thuc ca nng lng in t vo s nh hng spin
ca n. Hnh chiu spin ny ln mt trc no c th nhn ng hai gi
tr ~/2. Cn i vi du ca nng lng, th ngha ca n su xa hn
nhiu: l nng lng ca in t v ca phn ht ca in t l positron
m hm sng ca chng tng ng vi 4 spin trc chun u(i) (i = 1, 2, 3, 4)
sau:
Vi nng lng E+ , ht c hai hm ring tng ng vi hai spin

s 1 s 0
(1) m0 c2 + E +
0

(2) m0 c2 + E +
1

u = cpz ; u = c(px ipy )
2E+ m0 c2+E+ 2E+ m0 c2+E+
c(px +ipy ) cpz
m0 c2+E+ m0 c2+E+
Vi nng lng E , ht c hai hm ring tng ng vi hai spin

cpz c(p ip )
x y
s m0 c2+E s m0 c2 +E
(3) m0 c2 + E c(p +ip )
m0 cx2+Ey (4) m0 c2 + E
m0 ccp2 +E
z

u = ; u =
2E 1 2E 0
0 1
Lu rng ti gii hn c in (|~p| mc), cc thnh phn th ba, th

t ca u(1) , u(2) v thnh phn th nht, th hai ca u(3) , u(4) u rt nh v
c cp (|~p|/mc) 1.
4.5 Spin ca ht c m t bng phng trnh Dirac

T trc ti nay, chng ta s dng rng ri khi nim spin. Ton
t spin d c a vo mt cch thun tu hnh thc, nhm m t cc s
kin thc nghim. By gi, chng ta chng t rng s tn ti ca spin c
suy trc tip t phng trnh Dirac. Mun vy, ta xt cc nh lut bo ton
c rt ra t phng trnh Dirac.
i vi ht chuyn ng trong chn khng, mmen ca ht c bo
ton. Do , ton t mmen ton phn ca ht giao hon vi H.
Xt giao hon gia L v H. n gin, ta xt ht chuyn ng t
do. Chn trc z c hng tu , ta c

H Lz Lz H = c 2
~ p~ + m0 c Lz Lz c 2
~ p~ + m0 c .
V Lz = (~/i)[y(/x)] giao hon vi v z pz , nn

H Lz Lz H = cx px Lz Lz px + cy py Lz Lz py . (4.57)
Dng cc tnh cht giao hon

h i h i
Lz , px = i~py v Lz , py = i~px
th vo (4.57), ta suy ra
H Lz Lz H = i~c (y px x py ) . (4.58)
Kt qu tng t thu c cho cc hnh chiu khc ca mmen xung
lng.
Nh vy mmen xung lng ca ht t do trong trng hp ny khng
phi l tch phn chuyn ng v khng bo ton, ta a vo khi nim
mmen ton phn
~ ~
J~ = L +S
h i

~
~
trong S l ton t cha bit, vi iu kin sao cho J, H = 0, (i = x, y, z).
Ta xt Jz .
h i h i

Jz , H = 0 Lz + Sz , H = 0
hay h i h i
Lz , H + Sz , H = 0.
T (4.58) ta rt ra kt qu
H Sz Sz H = i~c (x py y px ) . (4.59)
tho mn (4.59), ta t
Sz = Ax y , (4.60)
trong A l hng s cha bit.
Dng cc h thc giao hon (4.22) cho cc ton t i , , ta thu c

H Sz Sz H = A H x y x y H = Ac [(x px + y py ) x y x y (x px + y py )]
H Sz Sz H = 2Ac (y px x py ) = 2Ac (x py y px ) .
So snh biu thc ny vi (4.59), ta suy ra A = i~/2. Vy ton t Sz bng

i~ i~ 0 x 0 y i~ x y 0 i~ iz 0
Sz = x y = = =
2 2 x 0 y 0 2 0 x y 2 0 iz

1 0 0 0
~ z 0 ~ 0 1 0 0
Sz = = . (4.61)
2 0 z 2 0 0 1 0
0 0 0 1
Bng cch tng t, ta thu c

0 1 0 0
i~ ~ x 0 ~ 1 0 0 0
Sx = y z = = , (4.62)
2 2 0 x 2 0 0 0 1
0 0 1 0

0 i 0 0
i~ ~ y 0 ~ i 0 0 0
Sy = z x = = . (4.63)
2 2 0 y 2 0 0 0 i
0 0 i 0
Cn ton t
S 2 = Sx2 + Sy2 + Sz2 .
Dng cc tnh cht ca cc ton t x , y , z , chng ta thu c

3 1 1
S 2 = ~2 I = ~2 1+
I. (4.64)
4 2 2

Phn tch cc kt qu thu c trn, ta c th gi J~ l mmen ton phn ca
ht (bo ton theo thi gian). Mmen ton phn bng tng mmen qu o
v mmen spin ca ht. Cc ton t Sz v S 2 trong (4.61) v (4.64) c
a v dng cho. Khi hnh chiu ca spin ln trc z c th ly hai gia tr
~/2. Cc tr ring ca ton t S 2 c dng ~2 s(s + 1), trong s = 1/2. T
, thy r rng ht c spin bng ~/2.
4.6 Chuyn t phng trnh Dirac sang phng trnh

Pauli. Mmen t ca ht.
By gi ta kho st dng ca phng trnh Dirac ti gii hn gn ng
c in (v c). Ta xt trng hp tng qut khi ht vi m mang in tch
e chuyn ng trong trng in t c th vect A~ v th v hng .
T (4.33), phng trnh Dirac cho ht mang in chuyn ng trong
trng in t
h e ~ 2
i
i~ = c ~ ~p A + e + m0 c . (4.65)
t c
t

= , , l cc spin hai thnh phn, (4.66)

v lu

i~ = E, (4.67)
t
khi trng thi dng. Th (4.66) v (4.67) vo (4.65), ta c
e ~
2
E e m0 c = c~ ~p A , (4.68)
c
e ~
2
E e + m0 c = c~ p~ A , (4.69)
c
Gi l ng nng ca ht, theo thuyt tng i, ta c
E = + m0 c2
Trong gn ng c in E e m0 c2 m0 c2 , ngha l vn tc ca in
t v c v trng gy bi th nh . Khi h phng trnh (4.68),
(4.69) chuyn thnh
e ~

= c~ ~p A + e, (4.70)
c

e~
c~ ~p c A 1 e ~
= ~ ~p A . (4.71)
+ 2m0 c2 e 2m0 c c
Thay gi tr ca t phng trnh (4.71) vo phng trnh (4.70), ta
tm c phng trnh ch cha hm spin
h i2
~p A
~ e
~

c
= + e . (4.72)

2m0

i vi cc ma trn Pauli, dng h thc

~
~a, b, ~ ~ ~
~~a ~ b = ~ab + i~ ~a b
p dng vo (4.72) s thu c

h e ~i2 e ~2 e~

~ ~p A ~
= p~ A ~ rotA. (4.73)
c c c
Thc vy,
h e ~i h e ~i e ~2 e ~ e ~

~ ~p A
~ p~ A = p~ A + i~ p~ A ~p A
c c c c c
trong
e ~ e ~ e ~ e ~ e2 ~ ~

~p A ~p A = p~ ~p A ~p p~ A + 2 A A
c c c c c
ie~
~
ie~
~ = ie~ B,
~
= A = rotA
c c c
~ l vect cm ng t trng v ta s dng

trong B
h i
~
~
~ ~
A ~p + p~ A = i~ A + A
h i
~
~
~ ~
~
A ~p + p~ A = i~ A () + A A ()

~
~ ~
A ~p + p~ A = i~rotA.
hay
e ~ ~ i~e
~ .
A ~p + p~ A = rotA
c c
Th kt qu (4.73) vo (4.72), ta rt ra c phng trnh c in cho chuyn
ng ca ht c spin 1/2 trong trng in t
2

p~ ec A
~
e~ ~
= + e ~ B ,

2m0 2m0 c

hay
2
e
~
~p c A

e~ ~
i~ = + e ~ B . (4.74)
t
2m0 2m0 c

y l phng trnh Pauli trong c lng t phi tng i tnh.

Tm li, trong gn ng phi tng i tnh phng trnh Dirac t ng
chuyn thnh phng trnh Pauli. Hn na, phng trnh Dirac khng nhng
suy ra c s tn ti ca spin m cn cho thy s c mt mmen t ring
s = (e~)/(2m0 c) ca ht na.
TI LIU THAM KHO

1. avp A. X., C hc lng t, NXB H & THCN, H Ni, 1972.
2. Phm Qu T, nh Thanh, C hc lng t, NXB HSP H
Ni, 1995.
3. Squires G. L., Problems in Quantum Mechanics, Cambridge Univer-
sity Press 1995.
4. ng Quang Khang, C hc lng t, NXB KH & KT, H Ni, 1996.
5. Nguyn Hong Phng, Nhp mn C hc lng t, NXB GD, H
Ni, 1998.
6. Nguyn Xun Hn, C hc lng t, NXB HQG H Ni, 1998.
7. Siegfried Flugge, Practical Quantum Mechanics, Springer-Verlag NewYork
Heidelberg Berlin, 1974. 8. Nguyn Hu Mnh, T Duy Li, nh Thanh,
L Trng Tng, Bi tp Vt l l thuyt, tp 2, NXB HQG H Ni, 1996.
9. G. L. Squires, Problems in quantum mechanics with solutions, Cam-
bridge University Press, Great Britain,1995.

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1

2 Mt s phng php gn ng trong c hc lng t 22

2.2.1 L thuyt nhiu lon khi c hai mc gn nhau . . . . . 26

4 C hc lng t tng i tnh 74

1.1 C s ton hc ca c hc lng t

b) Ton t tuyn tnh: Ton t A c gi l ton t tuyn tnh nu n

1.1.2 Cc php tnh trn ton t

Tch ca hai ton t ni chung l khng giao hon, ngha l AB 6= B A.

r rng B A 6= AB, nn A, B khng giao hon nhau.

AB(x) = x3 (x) = B A(x)

hai ton t A, B giao hon nhau.

1.1.3 Hm ring, tr ring v phng trnh tr ring ca ton t

A(x) = a(x). (1.6)

(1.6) l mt phng trnh, dng ca (x) c th thu c t vic gii phng

1.1.4 Ton t t lin hp tuyn tnh (ton t hermitic)

Nu A+ = A th ta bo A l ton t t lin hp tuyn tnh, hay ton

theo (1.8) c vit li nh sau:

h1 (x)|A2 (x)i = hA1 (x)|2(x)i.

v cc hm (x), (x) 0 khi x nn |x=+

Vy A = (d/dx) khng phi l ton t hermitic.

Vy A = i(d/dx) l ton t hermitic.

1.1.5 Cc tnh cht ca ton t hermitic

an hn |n i = ahn |ni = (an an)hn |n i = 0.

h1 |A2 i = hA1 |2 i = a2h1 |2 i = a1h1 |2 i, = (a2 a1)h1 |2 i = 0,

v a2 6= a1 nn (a2 a1) 6= 0. Vy:

h1 |2 i = 0 : 1 , 2 trc giao vi nhau.

Tm li, nu cc hm ring ca ton t hermitic A c chun ho th

Ph tr ring gin on : hm |n i = mn , (1.10)

1.2 Cc tin ca c hc lng t

1.2.1 Tin 1: Trng thi v thng tin

Nh vy, (x, t) v c(x, t) cng chung mt trng thi nu c c = |c|2 =

1.2.2 Tin 2: Cc i lng ng lc

V gi tr bng s ca bin ng lc l thc nn tr ring ca ton t

1.2.3 Tin 3: Php o cc i lng ng lc

c suy t tnh cht trc giao, chun ho ca cc hm ring.

A(x) = Ai (x) = ai i (x) vi xc sut |ci |2 = pi = 1.

Ch rng theo tin 3 th

v xc sut dW (a) i lng A c gi tr trong khong t a n a + da l

dW (a) = |c(a)|2da. (1.18)

1.2.4 Gi tr trung bnh ca bin s ng lc

Trng hp ph tr ring lin tc, ta c

1.2.5 Tnh h s phn tch ci

gi tr ny ca ci hon ton xc nh vi sai km hng s nhn.

1.3 S o ng thi hai i lng vt l

Ta o ng thi i lng M vi L, tc l lc h trng thi = L,k .

Nh vy, hai ton t L v M phi c chung hm ring:

R rng L v M giao hon vi nhau.

R rng M l mt hm ring ca ton t L vi tr ring L. Nh

1.3.2 Php o hai i lng ng lc khng xc nh ng thi.

trong P l mt ton t hermitic, P 6= 0.

y l cng thc cho bt nh khi o ng thi hai bin ng lc

h thc bt nh c th vit di dng khc

1.4 Phng trnh Schrdinger

trnh ny c Schrdinger a ra nm 1926 v c gi l phng trnh

1.4.2 Mt dng xc sut. S bo ton s ht

l mt xc sut tm thy ht to ~r ti thi im t. V

1.4.3 Phng trnh Schrdinger khng ph thuc thi gian. Trng

Trong trng hp ny hm sng E (~r, t) = E (~r).f (t) c vit di

Nh vy, ta c hai phng trnh c lp

Phng trnh (1.41) cho ta nghim

Cn (1.42) chnh l phng trnh cho ta hm ring v tr ring ca ton t

Hn (~r) = En .n (~r). (1.44)

trong n (~r) l vit tt ca En (~r). Nh vy, nghim ring y ca ht

En = En(0) + En(1) + 2 En(2) + ... (2.7)

v Vmn = vmn , V = v (2.9)

v E = En = En(0) , do En = En(0) + En(1) + 2 En(2) + .... (2.11)

Theo (2.40) khi bt ng thc H11 H22 |H12 |, c nghim ng