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Electron correlation described by extended geminal models: The EXGEM 7 and EXRHF 3 models
Author(s) -
Røeggen I.
Publication year - 1990
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.560380408
Subject(s) - geminal , beryllium , correlation , electron , physics , chemistry , statistical physics , mathematics , quantum mechanics , stereochemistry , nuclear physics , geometry
Within the framework of the general extended geminal model, two new approximate models, EXGEM 7 and EXRHF 3, are introduced. Compared with previous models, these new models imply a more sophisticated approximation of the four‐electron terms {ϵ KL }. The models are tested by calculations on the beryllium atom and the HF molecule.