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Simple evaluation of Franck–Condon factors and non‐Condon effects in the Morse potential
Author(s) -
López V. J. C.,
Rivera A. L.,
Smirnov Yu. F.,
Frank A.
Publication year - 2002
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.10142
Subject(s) - morse potential , eigenvalues and eigenvectors , simple (philosophy) , morse code , function (biology) , extension (predicate logic) , quantum , quantum mechanics , computational chemistry , physics , chemistry , statistical physics , computer science , telecommunications , philosophy , epistemology , evolutionary biology , biology , programming language
The calculation of Franck–Condon factors between different 1‐D Morse potential eigenstates using a formula derived from the Wigner function is discussed. Our numerical calculations using a simple program written in Mathematica are compared with other calculations. We show that our results have a similar accuracy as those calculations performed with more sophisticated methods. We discuss the extension of our method to include non‐Condon effects in the calculation. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem 88: 280–295, 2002
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