FYSC11 - Atom- och molekylfysik - HT 2012

Hydrogen atom
Spin-orbit hamiltonian:
HSO

e2
= hcR
20 hc

)2

Z4
LS
n3 l(l + 12 )(l + 1)

Relativistic corrections:
Hrel =

Erel

Z2
=E
n

e2
20 hc

p4
8m3 c2
)2 (

3
1

4n l +

Hyperfine structure:
e
gI
Hhf =
Bj I J
j(j + 1) 2mp
Hydrogen ground state energy:
e2
80 a0

EH,GS =
Spherical harmonics
Y00 =

3
4

cos

3
8

sin ei

Y10 =
Y11 =

Y20 =
Y21 =

1
4

5
(3 cos2
16

Y22 =

15
8

1)

sin cos ei

15
32

sin2 e2i

)
1
2

Radial wave functions

(

N=

Z
na

Zr
na

x=
a=

)3/2

h2 0
Ze2

R10 = 2N ex
R20 = 2N ex (1 x)
2 N ex x
3

R21 =

R30 = 2N ex 1 2x +
R31 =

2
3

2x2
3

2N ex x(2 x)
4 N ex x2
3 10

R32 =
Molecules
Vibrational energies:
(

Evib = h
v +

1
1
h
x v +
2
2

Rotational energies (rigid rotor):

Erot = Bhl(l + 1),
B=
Morse potential:

4Re2

De 1 e(RRe )

= 2
max
vib

De = E

)2

,
2De

1 (h)2
=
4 h
x

)2

Math
1 2
1
=
r+ 2
2
r r
r
2

2
1
1 2
+
+
2 tan sin2 2

Constants
h = 6.62608 1034 Js = 4.13567 1015 eV s, h
=

h
2

me = 9.10939 1031 kg = 5.48580 104 u

mp = 1.67262 1027 kg = 1.00728 u
mn = 1.67493 1027 kg = 1.00866 u
c = 2.99792 108 m/s
e = 1.60218 1019 C
0 = 8.85419 1012 As/Vm
R = 1.09737 107 m1
hc = 1.23984 106 eV m
B = e
h/2me = 9.27402 1024 J/T = 5.78838 105 eV/T
I = e
h/2mp = 5.05079 1027 J/T = 3.15245 108 eV/T
a0 = h2 0 /me e2 = 0.5292
A
= e2 /40 h
c = 137.0361

Units
1 eV = 1.6022 1019 J
1 u = 1.661 1027 kg
3