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Using the spin-resolved electronic direct correlation function to estimate the correlation energy of the spin-polarized uniform electron gas

✍ Scribed by Rogelio Cuevas-Saavedra; Paul W. Ayers

Book ID
113743579
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
150 KB
Volume
73
Category
Article
ISSN
0022-3697

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πŸ“œ SIMILAR VOLUMES

Relation of the charge and spin correlat
Relation of the charge and spin correlation functions to the structures of Ο€ electron wave functions in alternant hydrocarbons
✍ Katsufumi Hashimoto πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 508 KB

## Abstract We analyze, in the Pariser–Parr–Pople (PPP) model of alternant hydrocarbons, how the charge and spin correlation functions (CF's) are related to the structure of a CI wave function and the MO's of the systems. The analysis is based on the fact that an uncorrelated electron present in an