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Copula approach to exchange-correlation hole in many-electron systems with strong correlations.

Authors :
Wang, JingChun
Su, Yu
Cheng, Haoyang
Wang, Yao
Xu, Rui-Xue
Source :
Chinese Journal of Chemical Physics (1674-0068); Dec2023, Vol. 36 Issue 6, p685-690, 6p
Publication Year :
2023

Abstract

Electronic correlation is a fundamental topic in many-electron systems. To characterize this correlation, one may introduce the concept of exchange-correlation hole. In this work, we first briefly revisit its definition and relation to electron and geminal densities, followed by their intimate relations to copula functions in probability theory and statistics. We then propose a copula-based approach to estimate the exchange-correlation hole from the electron density. It is anticipated that the proposed scheme will become a promising ingredient towards the future development of strongly correlated electronic structure calculations. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
16740068
Volume :
36
Issue :
6
Database :
Complementary Index
Journal :
Chinese Journal of Chemical Physics (1674-0068)
Publication Type :
Academic Journal
Accession number :
174870558
Full Text :
https://doi.org/10.1063/1674-0068/cjcp2210154