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Parametrization of the Two-Electron Reduced Density Matrix for its Direct Calculation without the Many-Electron Wave Function

โœ Scribed by Mazziotti, David

Book ID
115450813
Publisher
The American Physical Society
Year
2008
Tongue
English
Weight
130 KB
Volume
101
Category
Article
ISSN
0031-9007

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๐Ÿ“œ SIMILAR VOLUMES

Evaluation of the second-order reduced d
Evaluation of the second-order reduced density matrix for correlated electronic wave functions
โœ William L. Luken ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 568 KB

## Abstract Formulas are presented for the evaluation of the secondโ€order reduced density matrix for correlated wave functions, including wave functions constructed from pairwise nonorthogonal orbitals. Numerical results are provided for the correlation holes and conditional nuclear spin densities