Page 129 - Bruno Linder Elementary Physical Chemistry
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August 18, 2010 11:37 9in x 6in b985-ch10 Elementary Physical Chemistry
114 Elementary Physical Chemistry
where S is
S = ψ A ψ Bdv (10.16b)
called the overlap integral. Obviously, the molecular normalization coeffi-
cient is
N =1/ 2(1 + S) (10.16c)
A heteronuclear diatomic molecule has the wave-function
Ψ= ψ sA + λΨ sB (10.17)
Normalization gives
2
N 2 ψ dv +2λ ψ sAψ sBdv + λ 2 ψ 2 =1
sA sB
2 2
N [1 + 2λS + λ ]= 1
2 1/2
N = {1/(1 + 2λS + λ )} (10.18)
