Regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: Towards chemical accuracy in nontrivial systems

Ravishankar Sundararaman; T. A. Arias

doi:10.1103/physrevb.87.165122

Regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: Towards chemical accuracy in nontrivial systems

Physical Review B ◽

10.1103/physrevb.87.165122 ◽

2013 ◽

Vol 87 (16) ◽

Cited By ~ 51

Author(s):

Ravishankar Sundararaman ◽

T. A. Arias

Keyword(s):

Coulomb Singularity ◽

Exact Exchange

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Density-Functional Theory with Orbital-Dependent Functionals: Exact-exchange Kohn-Sham and Density-Functional Response Methods

Progress in Physical Chemistry Volume 3 ◽

10.1524/9783486711639.35 ◽

2010 ◽

pp. 35-52

Author(s):

Andreas Grling ◽

Andrey Ipatov ◽

Andreas W. Gtz ◽

Andreas Heelmann

Keyword(s):

Density Functional Theory ◽

Functional Response ◽

Density Functional ◽

Functional Theory ◽

Exact Exchange

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Exact exchange-correlation potential of effectively interacting Kohn-Sham systems

Physical Review A ◽

10.1103/physreva.101.012510 ◽

2020 ◽

Vol 101 (1) ◽

Cited By ~ 1

Author(s):

Shunsuke A. Sato ◽

Angel Rubio

Keyword(s):

Exchange Correlation ◽

Exchange Correlation Potential ◽

Correlation Potential ◽

Exact Exchange

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The effect of the correlation and exchange interactions on the electronic and magnetic properties of the hexagonal NiS using the onsite exact exchange/hybrid functionals

Physica B Condensed Matter ◽

10.1016/j.physb.2017.07.002 ◽

2017 ◽

Vol 526 ◽

pp. 89-95 ◽

Cited By ~ 2

Author(s):

A. Reggad ◽

R. Lardjani ◽

R. Baghdad ◽

B. Bouhafs

Keyword(s):

Magnetic Properties ◽

Exchange Interactions ◽

Electronic And Magnetic Properties ◽

Exact Exchange ◽

Hybrid Functionals

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The Relationship Between the Exact Exchange Potential and Dephasing Induced by Coulomb Interaction in Quantum Plasmonics

IEEE Journal of Quantum Electronics ◽

10.1109/jqe.2017.2657323 ◽

2017 ◽

Vol 53 (2) ◽

pp. 1-8

Author(s):

Xiaoming Li ◽

Hui Fang ◽

Xiaocong Yuan

Keyword(s):

Coulomb Interaction ◽

Exchange Potential ◽

Quantum Plasmonics ◽

Exact Exchange ◽

The Relationship

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Algorithm to derive exact exchange-correlation potentials from correlated densities in atoms

Physical Review A ◽

10.1103/physreva.67.012505 ◽

2003 ◽

Vol 67 (1) ◽

Cited By ~ 37

Author(s):

K. Peirs ◽

D. Van Neck ◽

M. Waroquier

Keyword(s):

Exchange Correlation ◽

Exact Exchange

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Exact exchange-correlation potentials of singlet two-electron systems

The Journal of Chemical Physics ◽

10.1063/1.5003825 ◽

2017 ◽

Vol 147 (16) ◽

pp. 164117 ◽

Cited By ~ 17

Author(s):

Ilya G. Ryabinkin ◽

Egor Ospadov ◽

Viktor N. Staroverov

Keyword(s):

Electron Systems ◽

Exchange Correlation ◽

Exact Exchange

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Corrigendum to “Ground state stability of δPu by way of introducing exact exchange within a DFT potential for correlated electrons” [Comput. Mater. Sci. 126 (2017) 12–21]

Computational Materials Science ◽

10.1016/j.commatsci.2016.10.008 ◽

2017 ◽

Vol 127 ◽

pp. 301

Author(s):

J.J. Ríos-Ramírez ◽

J.F. Rivas-Silva ◽

A. Flores-Riveros

Keyword(s):

Ground State ◽

Correlated Electrons ◽

Exact Exchange ◽

Ground State Stability

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Electronic structure of GdN, and the influence of exact exchange

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/20/7/075214 ◽

2008 ◽

Vol 20 (7) ◽

pp. 075214 ◽

Cited By ~ 16

Author(s):

K Doll

Keyword(s):

Electronic Structure ◽

Exact Exchange

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Exact exchange potential evaluated from occupied Kohn-Sham and Hartree-Fock solutions

Physical Review A ◽

10.1103/physreva.83.062515 ◽

2011 ◽

Vol 83 (6) ◽

Cited By ~ 1

Author(s):

M. Cinal ◽

A. Holas

Keyword(s):

Exchange Potential ◽

Hartree Fock ◽

Exact Exchange

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Exact-exchange density functional theory for quasi-two-dimensional electron gases

Physical Review B ◽

10.1103/physrevb.67.115325 ◽

2003 ◽

Vol 67 (11) ◽

Cited By ~ 18

Author(s):

F. A. Reboredo ◽

C. R. Proetto

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Two Dimensional ◽

Dimensional Electron ◽

Electron Gases ◽

Functional Theory ◽

Exact Exchange

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