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The generator coordinate approximation for H 2 +
Author(s) -
Deumens E.,
Lathouwers L.,
Van Leuven P.,
Öhrn Y.
Publication year - 1984
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.560260831
Subject(s) - generator (circuit theory) , reaction coordinate , series (stratigraphy) , coordinate system , hydrogen molecule , physics , hydrogen , computational chemistry , statistical physics , quantum mechanics , chemistry , mathematics , geometry , power (physics) , biology , paleontology
The generator coordinate approximation is applied to the hydrogen molecular opn. A series of numerical experiments, using different quality electron states, is presented. The results of these nonadiabatic calculations are compared with theoretical predictions.