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Some properties of reduced density matrices, correlated and uncorrelated, for pure and mixed states

✍ Scribed by Osvaldo Goscinski

Book ID
104580581
Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
189 KB
Volume
21
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Some results pertaining to the form of Ξ“^(1)^ usually assumed in density functional theory, the properties of natural states of mixed states, their variational characterization, and a representation of pure states through reproducing kernels are given.

πŸ“œ SIMILAR VOLUMES

Analysis of reduced density matrices in
Analysis of reduced density matrices in the co-ordinate representation. III. Electron density and correlation in the ground states of H2 and the H6 ring system within some approximations of the simple LCAO type
✍ Gunnar Sperber πŸ“‚ Article πŸ“… 1972 πŸ› John Wiley and Sons 🌐 English βš– 683 KB

## Abstract The electron density and spatial correlation as given by the MO, VB and AMO methods for H~2~ and H~6~ are studied by means of diagrams. For comparison, diagrams representing accurate wave functions for H~2~ are also given. The study of model functions representing localized bonds leads