Theory of the Bose particle representation for geminals
| Autor: | Sadao Okido, Osamu Tanimoto |
|---|---|
| Rok vydání: | 1980 |
| Předmět: |
Condensed Matter::Quantum Gases
Electron pair Condensed Matter Physics Atomic and Molecular Physics and Optics symbols.namesake chemistry.chemical_compound chemistry Lithium hydride Quantum mechanics symbols Molecule Physics::Chemical Physics Physical and Theoretical Chemistry Hamiltonian (quantum mechanics) |
| Zdroj: | International Journal of Quantum Chemistry. 18:211-217 |
| ISSN: | 1097-461X 0020-7608 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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