Metropolis Evaluation of the Hartree–Fock Exchange Energy

Yael Cytter; Daniel Neuhauser; Roi Baer

doi:10.1021/ct500450w

Metropolis Evaluation of the Hartree–Fock Exchange Energy

Journal of Chemical Theory and Computation ◽

10.1021/ct500450w ◽

2014 ◽

Vol 10 (10) ◽

pp. 4317-4323 ◽

Cited By ~ 6

Author(s):

Yael Cytter ◽

Daniel Neuhauser ◽

Roi Baer

Keyword(s):

Exchange Energy ◽

Hartree Fock

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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 ◽

Cited By ~ 138

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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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 ◽

Hartree Fock

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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 ◽

Cited By ~ 10

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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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 ◽

Cited By ~ 1

Author(s):

J. Cioslowski

Keyword(s):

Density Matrix ◽

Padé Approximants ◽

Exchange Energy ◽

First Order ◽

Pade Approximants ◽

Hartree Fock

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Hartree-Fock exchange energy of an inhomogeneous electron gas

International Journal of Quantum Chemistry ◽

10.1002/qua.560230605 ◽

1983 ◽

Vol 23 (6) ◽

pp. 1915-1922 ◽

Cited By ~ 162

Author(s):

A. D. Becke

Keyword(s):

Electron Gas ◽

Exchange Energy ◽

Hartree Fock

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Non-locality in the exchange energy density of the inhomogeneous electron liquids in H2O, NH3and CH4treated by Hartree–Fock theory

Physics and Chemistry of Liquids ◽

10.1080/00319100601039500 ◽

2007 ◽

Vol 45 (1) ◽

pp. 15-24 ◽

Cited By ~ 1

Author(s):

C. Van Alsenoy ◽

N. H. March

Keyword(s):

Energy Density ◽

Exchange Energy ◽

Hartree Fock ◽

Electron Liquids ◽

Non Locality

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Exchange energy density and some approximate exchange potentials obtained from Hartree–Fock theory of the ground state of the Be atom

Chemical Physics Letters ◽

10.1016/s0009-2614(01)00561-9 ◽

2001 ◽

Vol 343 (1-2) ◽

pp. 166-170 ◽

Cited By ~ 6

Author(s):

I.A. Howard ◽

N.H. March ◽

J.A. Alonso ◽

N.A. Cordero ◽

V.E. Van Doren

Keyword(s):

Energy Density ◽

Ground State ◽

Exchange Energy ◽

Hartree Fock

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Investigation of three exchange energy formulas, Hartree–Fock, LDA, and 10/9 LDA

The Journal of Chemical Physics ◽

10.1063/1.452725 ◽

1987 ◽

Vol 86 (8) ◽

pp. 4507-4512 ◽

Cited By ~ 3

Author(s):

G. Kemister

Keyword(s):

Exchange Energy ◽

Hartree Fock

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Significant Differences between Hartree-Fock and Local-Exchange Energy Bands for TiO

Physical Review Letters ◽

10.1103/physrevlett.39.418 ◽

1977 ◽

Vol 39 (7) ◽

pp. 418-421 ◽

Cited By ~ 29

Author(s):

Dwight R. Jennison ◽

A. Barry Kunz

Keyword(s):

Exchange Energy ◽

Energy Bands ◽

Local Exchange ◽

Hartree Fock

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Large-Scale Parallel Implementation of Hartree–Fock Exchange Energy on Real-Space Grids Using 3D-Parallel Fast Fourier Transform

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.9b01063 ◽

2020 ◽

Vol 60 (3) ◽

pp. 1376-1389

Author(s):

Hideaki Takahashi ◽

Shun Sakuraba ◽

Akihiro Morita

Keyword(s):

Fourier Transform ◽

Fast Fourier Transform ◽

Large Scale ◽

Parallel Implementation ◽

Real Space ◽

Exchange Energy ◽

Hartree Fock

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