A new method to calculate overlap integrals of vibrational wave functions in the theory of vibronic spectra of polyatomic molecules

1994 ◽  
Vol 35 (2) ◽  
pp. 161-168
Author(s):  
V. I. Baranov ◽  
D. Yu. Zelentsov
Keyword(s):  
Polyatomic Molecules ◽  
Wave Functions ◽  
New Method ◽  
Overlap Integrals ◽  
Vibronic Spectra

scholarly journals Franck-Condon factors based on anharmonic vibrational wave functions of polyatomic molecules

2006 ◽  
Vol 125 (1) ◽  
pp. 014109 ◽  
Author(s):  
Valerie Rodriguez-Garcia ◽  
Kiyoshi Yagi ◽  
Kimihiko Hirao ◽  
Suehiro Iwata ◽  
So Hirata
Keyword(s):  
Polyatomic Molecules ◽  
Wave Functions ◽  
Condon Factors ◽  
Franck Condon

One-dimensional overlap functions and their application to Auger recombination in semiconductors

1960 ◽  
Vol 258 (1295) ◽  
pp. 486-495 ◽  
Keyword(s):  
Auger Recombination ◽  
Elevated Temperatures ◽  
Bloch Wave ◽  
Wave Functions ◽  
General Analysis ◽  
Experimental Results ◽  
Overlap Integrals ◽  
Recombination Mechanism ◽  
One Dimensional ◽  
Good Agreement

The theoretical lifetime of excess carriers in semiconductors limited only by the Auger recombination mechanism previously discussed by the present authors, depends on a temperature-independent parameter. This involves certain overlap integrals. They are of the form ∫ u *(k 1 , r) u (k 2 , r) dr, where the u ’s are the modulating parts of Bloch wave functions. The integrals are calculated in this paper on the basis of a Kronig-Penney model. The value of the parameter obtained is shown to be rather insensitive to many details of the model used. When the value found is inserted into the previously published theory of lifetimes in InSb, very good agreement is obtained with the more detailed experimental results which have recently become available. This strongly suggests that the dominant recombination mechanism in InSb at elevated temperatures has been identified. A more general analysis of the properties of the overlap integrals is also given in this paper.

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