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1nm = 10-9m
h = 6.63 x 10-34 J s
= 1.05 x 10-34 J s
hc = 2.0 x 10-25 J m
0 = 8.854 10 12 Cs 2 kg 1m 3
1 AMU=1.66 x 10-27 kg
me = 9.11 x 10-31 kg
e = 1.602 x 10-19 C
= c
E = h
= h/p
ln = mrv = n
rn = n2a0
a0 = 5.29 x 10-11 m
Particle in a box:
n2 h2 n2 h2 2
n2 h2 n2 h2 2
=
=
En =
E =
8ma 2
2ma 2 n 8ma 2
2ma 2
2
n 0 x a =
a
Harmonic Oscillator:
1
1
En = n + h = n + h
2
2
e x dx =
2
x =
0(
14
1
x =
8
2(
(4 x
x 2 e x dx =
2
1
2
1
1 x =
2
()
x2 2
14
km m
=
,
h
h
2 e
14
1 k
=
2 c
(2 x )e
12
,V=
h
x =
2m
12
2hm
(a+ + a )
a+ n = (n + 1) n+1
12
m 2 x 2
x2 2
()
1
2
1 3 5 (2n 1)
2 n+1 a n
14
(8
(mip + m x )
hm
p = i
2
x 12 1 2 x e x
32 3
n x
sin
a
1/2
x 2n e x dx =2
1
3 x =
48
x2 2
12
12
(a+ a )
a n = n1 2 n1
L , L = ihL
k
i j
i, j , k x , y , z
L+ = Lx + iLy
L = Lx iLy
Rigid Rotor
1
Y0 =
Y2 =
0
(4 )
1 2
16
5
3
cos
4
Y1 =
1
2
(3cos 1)
2
h2
J J +1
EJ =
2I
Y2 =
15 2
h
8 I
2
3 2
i
sin e
Y1 =
sin cos e
(Hz)
Y2 =
32
15
1
2
sin e
2
h
8 cI
2
2 i
(cm-1)
Hydrogen atom
Three-dimensional operators in spherical coordinates
1
1
h2 1 2
2
+
+
H(r, , ) =
r
sin
+ V r , ,
r 2 sin 2 2
2 r 2 r r r 2 sin
1
1 2
L2 = h2
sin
sin 2 2
sin
U=
Ze2
,
4 0 r
En =
Lz = ih
Z 2 e2
Z 2
=
(atomic units) n = 1,2,3,... ,
8 0 a0 n2 2n2
0 x e
n x /a
a0 =
dx = n!a n+1
4 0 h2
e2
n=1
n=2
n=3
l=0
l=0
m=0
m=0
100
1 Z
= 1s =
a0
3/ 2
Z
=
32 a0
1
200 = 2s
210 = 2 p =
m=0
3/ 2
l =1
Z
m = 1 211 =
64 a0
3/ 2
l=0
Z
=
81 3 a0
300
3/ 2
Z
32 a0
1
l =1
m=0
(2 )e
/ 2
3/ 2
e / 2 cos
e / 2 sin e i
(27 18 + 2 )e
2
/ 3
= 3s