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Vibronic coupling of electronic states. II. mathematical description of the model
Author(s) -
Gustav Klaus,
Colditz Roland
Publication year - 1982
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.560220105
Subject(s) - vibronic coupling , coupling (piping) , vibronic spectroscopy , scope (computer science) , physics , statistical physics , quantum mechanics , computational chemistry , atomic physics , chemistry , materials science , computer science , molecule , metallurgy , programming language
A model of vibronic coupling of crude Born–Oppenheimer ( CBO ) potentials within the scope of the linear variational procedure is presented. First numerical results testing the model are discussed.