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Electron density correlation of a superlattice with wave function overlaps

✍ Scribed by Lu Xiao-jia; Xie Lei-ming; Lei Xiao-ling

Book ID
107855241
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
190 KB
Volume
64
Category
Article
ISSN
0038-1098

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πŸ“œ SIMILAR VOLUMES

Evaluation of the second-order reduced d
Evaluation of the second-order reduced density matrix for correlated electronic wave functions
✍ 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