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Theory of the Bose particle representation for geminals
Author(s) -
Okido Sadao,
Tanimoto Osamu
Publication year - 1980
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.560180130
Subject(s) - hamiltonian (control theory) , lithium hydride , representation (politics) , physics , electronic correlation , electronic structure , molecule , electron , interpretation (philosophy) , quantum mechanics , ion , mathematics , computer science , mathematical optimization , politics , political science , ionic bonding , law , programming language
An electron pair in a molecule is a complex entity and is incompletely described by the independent particle picture. Electron pairs are treated as Bose particles to include correlation of intrapair interaction effectively by the use of the Dyson transformation. The use of a Bose‐type Hamiltonian permits a straight forward interpretation for geminals and facilitates the calculation of electronic energies. A Bose‐type representation method is applied to the calculation of electronic energies of a lithium hydride molecule.