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Expansions of the pair distribution function and the second-order density matrix in terms of homogeneous functionals

✍ Scribed by Liu, Shubin


Book ID
120941081
Publisher
The American Physical Society
Year
1996
Tongue
English
Weight
124 KB
Volume
54
Category
Article
ISSN
1050-2947

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Evaluation of the second-order reduced d
✍ William L. Luken πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 568 KB

## Abstract Formulas are presented for the evaluation of the second‐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