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The variational calculation of reduced density matrices

✍ Scribed by M. Rosina; C. Garrod

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
522 KB
Volume
18
Category
Article
ISSN
0021-9991

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πŸ“œ SIMILAR VOLUMES

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## Ε½ . The traces of the p-order reduced density matrices p-RDM split into independent Λ†2 Δ‰ontributions associated to the subsets of p-electron eigenstates of the S and S z operators. Here, we report the partial traces for the blocks of the low-order RDMs corresponding to pure spin states of an N-

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The problem of pure-state N-representability of the two-particle spin- ## Ε½ . dependent density function x , x is considered for an N-electron system, and a 1 2 Ε½ . procedure for finding an N-representable x , x is advanced. The problem is 1 2 formulated in the framework of a family of N = N matr