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Exact calculations of Franck–Condon overlaps and of matrix elements of some potentials by means of the coherent state representation
Author(s) -
Nishikawa Kiyoshi
Publication year - 1977
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560120509
Subject(s) - representation (politics) , coherent states , unitary state , matrix (chemical analysis) , displacement (psychology) , state (computer science) , matrix representation , quantum mechanics , mathematics , physics , mathematical analysis , chemistry , group (periodic table) , algorithm , quantum , psychology , chromatography , politics , political science , law , psychotherapist
Franck–Condon overlaps are described as the matrix elements of unitary operators related to the spatial displacement and the frequency shift. They are calculated exactly by means of the coherent state representation. Furthermore, the generalized matrix elements of x j , e −α x , and e −β x 2 between two states with different equilibrium coordinates and frequency are evaluated in the same way.