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Remarks about the wave-function representability of the first-order reduced density matrices

✍ Scribed by Per-Olov Löwdin


Publisher
John Wiley and Sons
Year
1986
Tongue
English
Weight
113 KB
Volume
30
Category
Article
ISSN
0020-7608

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Evaluation of the second-order reduced d
✍ William L. Luken 📂 Article 📅 1982 🏛 John Wiley and Sons 🌐 English ⚖ 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