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Digitale Medien

Electron correlation described by extended geminal models: The EXGEM7 and EXRHF3 models (1990)

Røeggen, I.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 38 (1990), S. 585-596

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Details

ISSN: 0020-7608

Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Chemie und Pharmazie

Notizen: Within the framework of the general extended geminal model, two new approximate models, EXGEM7 and EXRHF3, are introduced. Compared with previous models, these new models imply a more sophisticated approximation of the four-electron terms {∊KL}. The models are tested by calculations on the beryllium atom and the HF molecule.

Zusätzliches Material: 4 Tab.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1002/qua.560380408

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