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03-04-trans - normal - Αντιγραφή PDF
03-04-trans - normal - Αντιγραφή PDF
d(k, , )
N
=
d
N0
2 2
u(r) + V (r)u(r) = Eu(r)
2
2V (r)
2E
2 + k 2 u(r) =
u(r) , k 2 = 2
2
1
u(r) = eikz + f (k, , ) eikr ,
r
d(k, , )
N
= |f (k, , )|2
=
d
N0
V (r) = V (r )
V
(r
)
+
k
Rkl = 0
dr 2
r dr
2
r2
uk (r , ) =
l=0
Rkl (r )
V (r )
r0 V (r ) 0 r r0
r r0
l(l + 1)
d2 Rkl
2 dRkl
2
+
+
k
Rkl = 0 ,
dr 2
r dr
r2
!"! :
Al 1
sin(kr
cos l kr
1
2
l + l ) = Cl
r r0
nl (kr ) =
1
sin(kr
kr
1
2
r r0
cos(kr 12 l)
kr
l + l ) ,
%
Cl
Rkl (r ) =
&
&
& V (r )
r !
l=0
Cl
1
sin(kr
kr
1
2
l + l )Pl (cos ) ,
(
)
#
&
& Schrodinger #
#
&
&
&
uk (r , ) =
Cl
l=0
1
sin(kr
kr
1
2
l + l )Pl (cos ) ,
1
uk (r) = eikz + f (k, ) eikr ,
r
+
,
) &
#
&
-&
&
$
& &
r ! "#&
l=0
Cl
1
sin(kr
kr
1
2
1
l + l )Pl (cos ) = eikz + f (k, ) eikr
r
.
l=0
i l (2l + 1)
1
sin(kr
kr
1
2
l)Pl (cos ) ,
0
f (k, ) =
1
l=0
f (k, ) =
l=0
2
il
= |f (k, )| = 2 (2l + 1) e sin l Pl (cos )
d
k
l=0
(k) =
(2l + 1) sin2 l
k2
l=0
r0
#&
-& # &
$&
&*
&
|l| = pb,
b>r
b < r0
b<r
#& p &
&
& b #
*
& &!
l(l + 1) = kb
b=
l(l + 1)
k
:
2 &
&#
b > r0 !
$
&
&#
b r0 !
5
$ &
&
&
l lmax
lmax (lmax + 1) kr0
%
6) r0 #&
k
#&
&
&
& & #
4&
5 #& $
& &
& l = 0 2 4
&
!
"# P0 (cos ) = 1 & #& &
&
2
f (k, )
1 i0 (k)
sin 0 (k) ,
e
k
d
1
2 sin2 0 (k)
d
k
(
#& $
&
&
#
&
&
&#
!
!
V (r ) < 0 &
&# 2! #
V (r ) > 0 &
&#
! 7 #
&
&
&# 2!
/k
(a)
/k
(b)
V=0
V=0
(r ) = rR(r ) a
V = 0
b
V = 0
"
&
&
&
&
Rkl (r ) =
(i)
Rkl (r )
(o)
Rkl (r )
r < r0
r > r0
+
(i)
Rkl =
&
&
&
&!
(o)
Rkl =
&
#
&$ #& &
&!
' Rkl(o)
&
Bl
(o)
Rkl (r ) = Al jl (kr ) + Bl nl (kr ) = Al jl (kr ) + nl (kr )
Al
= Cl [cos l jl (kr ) sin l nl (kr )] r > r0
#&
Bl
Al
= tan l
(o)
dRkl (r )
dr
Al
cos l
= Cl cos l
(o)
Rkl (r )
djl (kr )
dnl (kr )
sin l
dr
dr
,
r > r0
.
(i)
Rkl (r0 )
(i)
dRkl (r )
dr
(o)
Rkl (r0 ),
r =r0
(o)
dRkl (r )
=
dr
r =r0
kl
(o)
dRkl (r )
= (o)
dr
R (r )
1
r =r0
kl
r =r0
kl
r =r0
l (kr )
cos l djldr(kr ) sin l dndr
=
cos l jl (kr ) sin l nl (kr )
0
r =r0
/ &
&
& &
2&
(i)
dRkl (r )
l = l (k) = (i)
R (r ) dr
r0
kl
1
r =r0
&
& &
& &
& $ 0
cos l
&
#
& tan l
# #
&
r0 djldr(kr ) l jl (kr )
tan l = dn (kr )
r0 l
l nl (kr )
dr
r =r0
l ()
l jl ()
kr0 djd
=
l ()
kr0 dnd
l nl ()
=kr0
#
r0 djldr(kr ) l jl (kr )
tan l = dn (kr )
r0 l
l nl (kr )
dr
r =r0
l ()
l jl ()
kr0 djd
=
l ()
kr0 dnd
l nl ()
=kr0
/ #&2&
= kr0 1
Bessel Neumann $
jl (kr0 )
(kr0 )l
,
(2l + 1)!!
djl ()
l(kr0 )l1
,
d =kr0
(2l + 1)!!
(kr0 )2l+1
l l
,
(2l + 1)!!(2l 1)!! l + 1 + l
kr0 1
ll (0)
1
(2l+1)!!(2l1)!! l+1+l (0)
l cl (kr0 )2l+1 ,
cl =
l l (0)
1
(2l + 1)!!(2l 1)!! l + 1 + l (0)
(kr0 )2l+1
l l
(2l + 1)!!(2l 1)!! l + 1 + l
%
:
&
#&
E = Er $
(
l + 1 + l (Er ) = 0
tan l (Er ) =
l (Er ) =
l (E )
+
E E =Er
&
&
& $
(
l (E )
l + 1 + l (E ) (E Er )
E E =Er
8 & l (E ) # $ $ % &
&
#
&
l l
l + 1 + l
=
1
2l + 1
2l + 1
1
1
l + 1 + l
[l (E )/E ]E =Er E Er
2l + 1
1
[l (E )/E ]E =Er E Er
' #
& # E &
&
&
&
#&
& &
&! / 24 &
&
#
&&
$ % & &
2&
=
2(kr0 )2l+1
l
[(2l 1)!!]2 [l /E ]E =Er
+
/2
E Er
,
"#
& & l
&
& &
&
l (E ) =
4
4
tan2 l
(2l + 1) sin2 l = 2 (2l + 1)
2
k
k
1 + tan2 l
&2 ,
&
l (E ) =
4
2
(2l + 1)
.
2
k
4(E Er )2 + 2
l,max
Breit-Wigner!
l,max =
4
(2l + 1)
k2
l,max/2
Er -/2
Er
E +/2
r
E = Er
#
l (Er
1
) = l,max
2
2
7&
2& #& &
$ + &
& width l (E ) &
&
& #
&$ & &
&!
8#&
$ 2 l
&
&
&
#& l (E )
& & 2 &
!
l /E < 0 #&
&
& $ 0!
"
$
# $ ,
/2
E Er
2
&
# E < Er E = Er $
E > Er ! "# 0
# E < Er
$
E = Er
tan l (E ) l (E ) & 4 # #&
4
tan l (E )
&
& $
tan l (Er ) = ,
l (E ) =
l (Er ) =
,
2
l
l (E )
>
0
E E =Er
l=1
4
(2l + 1)
k2
/2
l=0
l=2
Er
< l (E ) <
2
E0
l = 0, 1 2
l (E ) #
&
(, 0)!
#&
E0 > Er l (E ) # 2
&$
&
& # #
& l (E )
$ l (E )/E |E =Er < 0! 7 #
# & & 5$
% #& $
#
#
4
l = 0, 1 2!
5 &
#
$
& &
l = 1
E = Er ! '
E = E0 &$ &
!
!
E
Veff(r)
r0
% "
&
!
-V0
Ve (r ) = V (r ) + l(l + 1)/r 2
& l &
Ve (r ) #& #
#&
&
# &
&
&! 5 && &
$
&
!
"
#& &
& $
& - &
&! )
& $
& -
& #& &
&
$
#
&&
E t
V
(r
)
kl = 0 ,
dr 2
2
r2
k2 =
2E
2
r = 0
V (r )
kl (r ) = r l+1
6
12
2
,
r
r
= 5.9 meV,
= 3.57
!
"
r = 0
(r ) = ew /r
w
!
#
!;
5
#
#
/ &
#
&
&
& &
l(l + 1)
d2 kl
2
2
+
k
V
(r
)
kl = 0 ,
dr 2
2
r2
k2 =
2E
2
0
(r )
kl (r )|r =0 = 0
kl (r ) = kr (Al jl (kr ) + Bl nl (kr )) ,
r r0
'
&# &
&!
/ 2&
Bl /Al = tan l
kl (r ) = Cl kr (cos l jl (kr ) sin l nl (kr )) ,
#& l
# & l
&
&!
r r0
2
# l &
!"! 0 $
&#&4
2&&
2
& NDSolve Mathematica! /
#& & #
&
4 24 1 #
$4
4 !
'
$ 2 kl (r = 0) = 0!
'
$ 2
#&
2
2 kl (r = h)
#
#
!
7&
& r = h &
& & r = 0!
; !"! 0
$
&
& r = r0 $&
&
2
#
&
kl (r )
##
&
2
#
& &
2 &
& r = r0 #& &
2
!
'
kl (r )|r =h
#&
&#&#&
# 2
Cl
#&
#
&#&#&
& !"! 0
&
& !
:
#
#
&& &
# #
&
&
l(l+1)
#&
&
&
& &#&
r2
$&
&&
2
!
/ &
&
& r = 0 & #
&
r 0 #&
#
1/r 2
#&
2 # &
# !"! #
&$ &
&
r = 0 #& kl (r ) = r l+1 !
#&
kl (r = h) = hl+1 #& h &
&&
!
5 2 $
&#&&
$ &
2
#
4&
#&
2
!"! 0
#&
&# &
2 &
r1 r0 r2 > r1 r0 ! &
!"! 0
$
&
& r = r2 $
-&
&
kl (r1 )
kl (r2 )
4& Cl l !
&
(1)
kl
(2)
kl
=
=
l r1 j (1) tan l n(1) ,
C
l
l
l r2 j (2) tan l n(2) ,
C
l
l
l = Cl k cos l
C
(1)
kl = kl (r1 ) ,
(2)
kl = kl (r2 )
tan l
l
C
(2)
G jl
jl
G nl
nl
(1)
(1)
(2)
(2)
(jl
(1)
nl
,
(2)
#& G =
(2)
(1)
nl kl r1 nl kl r2
(1)
jl
(2)
nl )
r1 r2
(2)
r1 kl
(1)
r2 kl
%
! 5
2
#
&
& &
$
&#&& & "
&
& 4
&
2
#
& &
#&
& &
#&
&
2
&!
&
2 $&
&
2
& #&&
&!
:
#
=&
& & !"!
& !
/ & #& &
&
2
& L0 E0
&$ r = r L0 E = E E0 0
d2 kl
V (r )) l(l + 1) kl = 0
+
C
(
E
dr 2
r 2
2& r r E E
l(l + 1)
d2 kl
+
C
(E
V
(r
))
kl = 0
dr 2
r2
(
C =
5 /&
> $
&#&& &
& nm
A &
& eV
! ) &$
& :
> fm MeV
/ = 109 m = 107 cm,
1 nm = 10
19
1 eV = 1.602177 10
1 fm = 1015 m = 1013 cm
1 MeV = 106 eV
J,
"#
me c 2 0.511 MeV = 5.11 105 eV,
2
C &
&
#
me ,
me ,
m2p
mn
,
2
[L0 ] =
/,
[L0 ] = nm,
[L0 ] = fm,
[E ] = eV
[E ] = eV
[E ] = MeV
C = 0.26246
C = 26.246
C = 0.0241
$
Mathematica
%
#&
x = 4.5397Z 1/6 r 1/2 ,
Ze 2 x
e (1 + x + b2 x 2 + b3 x 3 + b4 x 4 )
r
e 2 = 14.409,
b2 = 0.3344,
b3 = 0.0485,
+
b4 = 0.002647
7&
eV
/! 7&
#&
2
2
##
r0 = 2
/!
!
VeffHrL
200
100
@eVD
l=3
l=2
l=1
0.5
100
1.5
@D
l(l+1)
l '
r2
Ve (r ) = CV (r ) +
Z = 20
l=0
200
300
7& #
#& 2&
&
& &
&#
&
2
&
&
&
&
# 0o 180o
10o !
' #&
#& &&2&
& #&&
#
#
Mathematica
?
"
6) #
#
&
&
=&
#&
&
4
#&
$
&#&2 & #
#4 &
!
5
$ & #
&
2 #&
&
$
! / &
& &
& Ze &
-
2
4 iEn
&#& 2 #&&-& &
2!
&
&
& # &$
4 &
2
& k
4 & &
2
& l lmax kr0 !
#& #&#& #&&
& #&
Legendre
&
&
# lmax 19 #& 2 #
$
#&
Legendre
! lmax
#
& l 19 &
2
4 &#& 2 #&&
&
&
!
5 $ &
-&
&
$ +
$
# (
&2 & NDSolve! '
&
&
-
& l &
$&
&
rsmall #& #
2
&
&
rsmall l+1
(l + 1)rsmall l &$
# rmax! '
#
# 2 &
#
# &
2
& k !
7& &
& #
&
4 &4 &
4 l = 0, 1, 2 #
&#
!
/
&
-&
&
2
rstart[l] &
& &#&& 2
2& & rsmall !"! &
l! / &
2
rsmall $ $&
&
#&&
&
#& #
&- $
#&
4
r !
5 #
4 & &
&
$& &
-&
& k
24
r1 r2 &#& 2 2 !"! &
l 2
#&&&
2 #&
& ! 7&
& r1
&
& 4 &
& r2 2 & #
#&
&
&
jl nl #&
& kr 4 &
2
#&
&
& & 2/k !
#
E=0.1 eV,
45 90
Z=50
135 180
E=1. eV,
45 90
Z=50
135 180
1
L0.8
H0.6
L
H0.4
0.2
0
45
90
135 180
@degreesD
E=43. eV,
45 90
Z=50
135 180
L1.2
H1.1
1
L
0.9
H
0.8
1.05
L1.04
H
L1.03
H1.02
1.01
1
45
90
135 180
@degreesD
45
90
135 180
@degreesD
()/(0) =
!
Z = 50
d() d(0)
/ d
d
4
d(0)
d()
d(0)
1.05
,
d
d
d
[0o , 180o ]
5 $
&
l = 0 &
&
d()
4
2 sin2 0 ,
d
k
k=
CE
60
10
20
0
4
6
Energy @eV D
10
20
40
D
30
total
D10
@
8
total
40
12
D100
@ 80
total
Z=70
Z=50
Z=20
120
10
20
30
40
Energy @eV D
50
20
40
60
80
Energy @eV D
!
Z = 20,
100
50, 70
Z = 20 #
&- &
&
E 1.5 eV Z = 50
#
&-
&
E 20 eV Z = 70 #
&- &
#4&
#&
- &
#
# &
#
&
&
# ! ) #
4& # & & $& & #
& 5$
4 &
& !
2
4
6
8
Energy @eV D
10
Z=50
@ 1
0.5
40
Z=70
30
D25
20
@
15
10
5
0
10 20
Energy
l=1
30
@eVD
40
20 40 60 80 100
Energy @eVD
10
D8
6
@
4
2
0
Z=20
2
4
6
8
Energy @eVD
l=2
Z=70
10
Z=50
10 20
Energy
l=2
30
@eVD
40
Z=70
D1.5
0.5
l=0
30
@eVD
10 20
Energy
l=2
2
4
6
8
Energy @eV D
l=1
1.75
1.5
D1.25
@0.751
0.5
0.25
0
1.2
D0.81
@0.6
0.4
0.2
0
0
Z=50
l=0
10
D1.5
25
D20
15
@
10
5
0
Z=20
l=1
D10
@8
6
120
100
D 80
@ 60
40
20
0
0
Z=20
l=0
12
20 40 60 80 100
Energy @eVD
20 40 60 80 100
Energy @eVD
!
/# & 5$
0 #
&
1 (E ) Z = 20 Z = 70 #
&- &
#&
!
!
04-electron-scat.nb
l (E ) l = 0, 1 2
Z = 20, 50 70
!
$
%
&!
l (E )
%
!
H Kr
Lennard-Jones
V (r ) =
6
12
2
,
r
r
= 5.9 meV,
= 3.57
,
!
H
Kr !$
04-electron-scat.nb