Communication: Strong-interaction limit of an adiabatic connection in Hartree-Fock theory

被引：28

作者：

Seidl, Michael ^{[1
,2
]}

Giarrusso, Sara ^{[1
,2
]}

Vuckovic, Stefan ^{[1
,2
,3
]}

Fabiano, Eduardo ^{[4
,5
]}

Gori-Giorgi, Paola ^{[1
,2
]}

机构：

[1] Vrije Univ, Fac Sci, Dept Theoret Chem, Boelelaan 1083, NL-1081 HV Amsterdam, Netherlands

[2] Vrije Univ, Fac Sci, Amsterdam Ctr Multiscale Modeling, Boelelaan 1083, NL-1081 HV Amsterdam, Netherlands

[3] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA

[4] Inst Microelect Microsyst CNR IMM, Via Monteroni,Campus Unisalento, I-73100 Lecce, Italy

[5] Ist Italiano Tecnol, Ctr Biomol Nanotechnol UNILE, Via Barsanti, I-73010 Arnesano, Italy

来源：

JOURNAL OF CHEMICAL PHYSICS | 2018年 / 149卷 / 24期

基金：

欧洲研究理事会;

关键词：

EXCHANGE-CORRELATION FUNCTIONALS; SEMICLASSICAL LIMIT; CORRELATION-ENERGY; GREENS-FUNCTION; DENSITY; HYBRID; INTERPOLATION; BEHAVIOR;

D O I：

10.1063/1.5078565

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We show that the leading term in the strong-interaction limit of the adiabatic connection that has as weak-interaction expansion the Moller-Plesset perturbation theory can be fully determined from a functional of the Hartree-Fock density. We analyze this functional and highlight similarities and differences with the strong-interaction limit of the density-fixed adiabatic connection case of Kohn-Sham density functional theory. Published by AIP Publishing.

引用

页数：5

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