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Molecular spectra and the generator coordinate method
Author(s) -
Lathouwers L.,
Van Leuven P.
Publication year - 2009
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.560140830
Subject(s) - generator (circuit theory) , diatomic molecule , coordinate system , molecular dynamics , physics , reaction coordinate , spectral line , computational chemistry , atomic physics , chemistry , quantum mechanics , computer science , molecule , artificial intelligence , power (physics)
The generator coordinate method is presented as a nonadiabatic theory of molecular dynamics. Details are worked out for diatomics.