Exchange-correlation energy functional based on the Airy-gas reference system

Physical Review B ◽

10.1103/physrevb.80.035125 ◽

2009 ◽

Vol 80 (3) ◽

Author(s):

Lucian A. Constantin ◽

Adrienn Ruzsinszky ◽

John P. Perdew

Keyword(s):

Reference System ◽

Correlation Energy ◽

Energy Functional ◽

Exchange Correlation

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Relativistic exchange-correlation energy functional: Gauge dependence of the no-pair correlation energy

Physical Review A ◽

10.1103/physreva.58.993 ◽

1998 ◽

Vol 58 (2) ◽

pp. 993-1000 ◽

Author(s):

A. Facco Bonetti ◽

E. Engel ◽

R. M. Dreizler ◽

I. Andrejkovics ◽

H. Müller

Keyword(s):

Correlation Energy ◽

Pair Correlation ◽

Energy Functional ◽

Exchange Correlation ◽

Gauge Dependence

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Relativistic Corrections to the Exchange-Correlation Energy Functional

Electronic Density Functional Theory ◽

10.1007/978-1-4899-0316-7_11 ◽

1998 ◽

pp. 149-163 ◽

Author(s):

E. Engel ◽

S. Keller ◽

R. M. Dreizler

Keyword(s):

Correlation Energy ◽

Energy Functional ◽

Exchange Correlation ◽

Relativistic Corrections

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The gradient approximation to the exchange-correlation energy functional: A generalization that works

Solid State Communications ◽

10.1016/0038-1098(79)90254-0 ◽

1979 ◽

Vol 31 (8) ◽

pp. 567-571 ◽

Author(s):

D.C. Langreth ◽

J.P. Perdew

Keyword(s):

Correlation Energy ◽

Energy Functional ◽

Exchange Correlation

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Evidence for a fundamental inadequacy of the gradient expansion of the exchange-correlation energy functional in the Hohenberg-Kohn-Sham density-functional theory from Compton scattering experiments

Physical Review B ◽

10.1103/physrevb.30.1010 ◽

1984 ◽

Vol 30 (2) ◽

pp. 1010-1011 ◽

Author(s):

Gerrit E. W. Bauer

Keyword(s):

Density Functional Theory ◽

Compton Scattering ◽

Density Functional ◽

Correlation Energy ◽

Energy Functional ◽

Functional Theory ◽

Gradient Expansion ◽

Exchange Correlation

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Molecular tests of the random phase approximation to the exchange-correlation energy functional

Physical Review B ◽

10.1103/physrevb.64.195120 ◽

2001 ◽

Vol 64 (19) ◽

Author(s):

Filipp Furche

Keyword(s):

Random Phase Approximation ◽

Correlation Energy ◽

Random Phase ◽

Energy Functional ◽

Phase Approximation ◽

Exchange Correlation ◽

Molecular Tests

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Alternative form of the linear-response contribution to the exchange-correlation energy functional

Physical Review A ◽

10.1103/physreva.51.1159 ◽

1995 ◽

Vol 51 (2) ◽

pp. 1159-1166 ◽

Author(s):

E. Engel

Keyword(s):

Linear Response ◽

Correlation Energy ◽

Energy Functional ◽

Alternative Form ◽

Exchange Correlation

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Kinetic energy contribution to the exchange-correlation energy functional of the extended constrained-search theory

Physical Review A ◽

10.1103/physreva.79.022113 ◽

2009 ◽

Vol 79 (2) ◽

Author(s):

Katsuhiko Higuchi ◽

Masahiko Higuchi

Keyword(s):

Kinetic Energy ◽

Correlation Energy ◽

Energy Functional ◽

Search Theory ◽

Energy Contribution ◽

Exchange Correlation

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Performance on molecules, surfaces, and solids of the Wu-Cohen GGA exchange-correlation energy functional

Physical Review B ◽

10.1103/physrevb.75.115131 ◽

2007 ◽

Vol 75 (11) ◽

Author(s):

Fabien Tran ◽

Robert Laskowski ◽

Peter Blaha ◽

Karlheinz Schwarz

Keyword(s):

Correlation Energy ◽

Energy Functional ◽

Exchange Correlation

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On-top density in the nonlinear metallic screening and its implication on the exchange-correlation energy functional

The European Physical Journal B ◽

10.1140/epjb/e2018-90111-0 ◽

2018 ◽

Vol 91 (8) ◽

Author(s):

Yasutami Takada

Keyword(s):

Correlation Energy ◽

Energy Functional ◽

Exchange Correlation

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Kohn-Sham calculations with self-interaction-corrected local-spin-density exchange-correlation energy functional for atomic systems

Physical Review A ◽

10.1103/physreva.54.3939 ◽

1996 ◽

Vol 54 (5) ◽

pp. 3939-3947 ◽

Author(s):

Jiqiang Chen ◽

J. B. Krieger ◽

Yan Li ◽

G. J. Iafrate

Keyword(s):

Spin Density ◽

Correlation Energy ◽

Energy Functional ◽

Atomic Systems ◽

Exchange Correlation ◽

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