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A novel interpretation of reduced density matrix and cumulant for electronic structure theories

✍ Scribed by Kong, Liguo; Valeev, Edward F.


Book ID
115469992
Publisher
American Institute of Physics
Year
2011
Tongue
English
Weight
410 KB
Volume
134
Category
Article
ISSN
0021-9606

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πŸ“œ SIMILAR VOLUMES


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