Exchange energy functionals based on the density matrix expansion of the Hartree-Fock exchange term

Molecular Physics ◽

10.1080/002689797170347 ◽

1997 ◽

Vol 92 (3) ◽

pp. 601-608 ◽

Author(s):

By TROY VAN VOORHIS GUSTAVO E. SCUS

Keyword(s):

Density Matrix ◽

Exchange Energy ◽

Exchange Term ◽

Energy Functionals ◽

Hartree Fock ◽

Matrix Expansion

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Exchange energy functionals based on the density matrix expansion of the Hartree-Fock exchange term

Molecular Physics ◽

10.1080/00268979709482131 ◽

1997 ◽

Vol 92 (3) ◽

pp. 601-608 ◽

Author(s):

TROY VAN VOORHIS ◽

GUSTAVO SCUSERIA

Keyword(s):

Density Matrix ◽

Exchange Energy ◽

Exchange Term ◽

Energy Functionals ◽

Hartree Fock ◽

Matrix Expansion

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Exchange energy functionals based on the full fourth-order density matrix expansion

The Journal of Chemical Physics ◽

10.1063/1.1373432 ◽

2001 ◽

Vol 114 (24) ◽

pp. 10591-10597 ◽

Author(s):

Sergey N. Maximoff ◽

Gustavo E. Scuseria

Keyword(s):

Density Matrix ◽

Fourth Order ◽

Exchange Energy ◽

Energy Functionals ◽

Matrix Expansion

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Hartree-Fock exchange energy from the application of generalized Padé approximants to the first-order density matrix

Physical Review A ◽

10.1103/physreva.37.4023 ◽

1988 ◽

Vol 37 (10) ◽

pp. 4023-4025 ◽

Author(s):

J. Cioslowski

Keyword(s):

Density Matrix ◽

Padé Approximants ◽

Exchange Energy ◽

First Order ◽

Pade Approximants ◽

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Hartree-Fock calculations in the density matrix expansion approach

Physical Review C ◽

10.1103/physrevc.57.2281 ◽

1998 ◽

Vol 57 (5) ◽

pp. 2281-2293 ◽

Author(s):

F. Hofmann ◽

H. Lenske

Keyword(s):

Density Matrix ◽

Hartree Fock ◽

Matrix Expansion

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Explicit Functionals I: Kinetic and Exchange Energy Functionals Derived from the One-Particle Density Matrix

Density Functional Theory ◽

10.1007/978-3-642-86105-5_5 ◽

1990 ◽

pp. 75-137 ◽

Author(s):

Reiner M. Dreizler ◽

Eberhard K. U. Gross

Keyword(s):

Density Matrix ◽

Particle Density ◽

Exchange Energy ◽

Energy Functionals ◽

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Ground-state properties of the symmetric single-impurity Anderson model on a ring from density-matrix renormalization group, Hartree-Fock, and Gutzwiller theory

Physical Review B ◽

10.1103/physrevb.99.165130 ◽

2019 ◽

Vol 99 (16) ◽

Author(s):

Gergely Barcza ◽

Florian Gebhard ◽

Thorben Linneweber ◽

Örs Legeza

Keyword(s):

Renormalization Group ◽

Density Matrix ◽

Anderson Model ◽

Ground State ◽

Density Matrix Renormalization Group ◽

Hartree Fock ◽

Density Matrix Renormalization ◽

Single Impurity ◽

Ground State Properties

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Conjoint gradient correction to the Hartree-Fock kinetic- and exchange-energy density functionals

Physical Review A ◽

10.1103/physreva.44.768 ◽

1991 ◽

Vol 44 (1) ◽

pp. 768-771 ◽

Author(s):

Hsing Lee ◽

Chengteh Lee ◽

Robert G. Parr

Keyword(s):

Energy Density ◽

Exchange Energy ◽

Density Functionals ◽

Hartree Fock ◽

Gradient Correction

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A reexamination of exchange energy functionals

The Journal of Chemical Physics ◽

10.1063/1.479954 ◽

1999 ◽

Vol 111 (13) ◽

pp. 5656-5667 ◽

Author(s):

Takao Tsuneda ◽

Toshihisa Suzumura ◽

Kimihiko Hirao

Keyword(s):

Exchange Energy ◽

Energy Functionals

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Density matrix expansion for microscopic optical model potential

Physical Review C ◽

10.1103/physrevc.34.1173 ◽

1986 ◽

Vol 34 (4) ◽

pp. 1173-1180 ◽

Author(s):

Taksu Cheon

Keyword(s):

Density Matrix ◽

Optical Model ◽

Model Potential ◽

Optical Model Potential ◽

Matrix Expansion

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Exchange energy as functional of electronic density from Hartree–Fock theory of inhomogeneous electron gas

World Scientific Series in 20th Century Physics - Many-Body Theory of Molecules, Clusters, and Condensed Phases ◽

10.1142/9789814271783_0101 ◽

2009 ◽

pp. 801-820

Author(s):

A. M. BEATTIE ◽

J. C. STODDART ◽

N. H. MARCH

Keyword(s):

Electron Gas ◽

Exchange Energy ◽

Electronic Density ◽

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