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Functional designed to include surface effects in self-consistent density functional theory

โœ Scribed by Armiento, R.; Mattsson, A. E.


Book ID
120280231
Publisher
The American Physical Society
Year
2005
Tongue
English
Weight
202 KB
Volume
72
Category
Article
ISSN
1098-0121

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## Abstract The spatial exchange interaction, arising from the exchangeโ€type twoโ€electron integrals ( $ i\_pj\_q|i\_p^\prime j\_q^\prime $) between two different groups P and Q, is another driving force for the delocalization of ฯ€โ€electrons besides orbital chargeโ€transfer and exchange interactions.