Accurate effective potential for density amplitude and the corresponding Kohn–Sham exchange–correlation potential calculated from approximate wavefunctions

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/1361-6455/ab9768 ◽

2020 ◽

Vol 53 (16) ◽

pp. 165002

Author(s):

Ashish Kumar ◽

Rabeet Singh ◽

Manoj K Harbola

Keyword(s):

Effective Potential ◽

Exchange Correlation ◽

Exchange Correlation Potential ◽

Correlation Potential

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Generalization of the optimized-effective-potential model to include electron correlation: A variational derivation of the Sham-Schlüter equation for the exact exchange-correlation potential

Physical Review A ◽

10.1103/physreva.51.2005 ◽

1995 ◽

Vol 51 (3) ◽

pp. 2005-2013 ◽

Author(s):

Mark E. Casida

Keyword(s):

Effective Potential ◽

Electron Correlation ◽

Potential Model ◽

Exchange Correlation ◽

Exchange Correlation Potential ◽

Correlation Potential ◽

Exact Exchange ◽

Optimized Effective Potential

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Separation of the exchange-correlation potential into exchange plus correlation: An optimized effective potential approach

Physical Review A ◽

10.1103/physreva.54.4810 ◽

1996 ◽

Vol 54 (6) ◽

pp. 4810-4814 ◽

Author(s):

Claudia Filippi ◽

C. J. Umrigar ◽

Xavier Gonze

Keyword(s):

Effective Potential ◽

Potential Approach ◽

Exchange Correlation ◽

Exchange Correlation Potential ◽

Correlation Potential ◽

Optimized Effective Potential

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Electronic Structure of Molecules, Surfaces, and Molecules on Surfaces with the Local Modified Becke–Johnson Exchange–Correlation Potential

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00255 ◽

2021 ◽

Author(s):

Tomáš Rauch ◽

Miguel A. L. Marques ◽

Silvana Botti

Keyword(s):

Electronic Structure ◽

Exchange Correlation ◽

Exchange Correlation Potential ◽

Structure Of Molecules ◽

Correlation Potential

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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) ◽

Author(s):

Shunsuke A. Sato ◽

Angel Rubio

Keyword(s):

Exchange Correlation ◽

Exchange Correlation Potential ◽

Correlation Potential ◽

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Influence of the exchange-correlation potential in methods based on time-dependent density-functional theory

Physical Review A ◽

10.1103/physreva.88.042513 ◽

2013 ◽

Vol 88 (4) ◽

Author(s):

P. Bleiziffer ◽

A. Heßelmann ◽

C. J. Umrigar ◽

Andreas Görling

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Functional Theory ◽

Exchange Correlation ◽

Exchange Correlation Potential ◽

Correlation Potential ◽

Dependent Density

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Comment on ‘‘Quantum-mechanical interpretation of the exchange-correlation potential of Kohn-Sham density-functional theory’’

Physical Review Letters ◽

10.1103/physrevlett.65.276 ◽

1990 ◽

Vol 65 (2) ◽

pp. 276-276 ◽

Author(s):

Mark Rasolt ◽

D. J. W. Geldart

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Quantum Mechanical ◽

Functional Theory ◽

Exchange Correlation ◽

Exchange Correlation Potential ◽

Correlation Potential ◽

Mechanical Interpretation

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Accuracy of geometries: influence of basis set, exchange?correlation potential, inclusion of core electrons, and relativistic corrections

Theoretical Chemistry Accounts ◽

10.1007/s00214-003-0564-x ◽

2004 ◽

Vol 111 (1) ◽

pp. 56-56 ◽

Author(s):

M. Swart ◽

J.G. Snijders

Keyword(s):

Basis Set ◽

Exchange Correlation ◽

Exchange Correlation Potential ◽

Relativistic Corrections ◽

Correlation Potential ◽

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Effect of exchange–correlation potential on the plasmon dispersions in a doped symmetrical double quantum well

physica status solidi (b) ◽

10.1002/pssb.200642280 ◽

2007 ◽

Vol 244 (2) ◽

pp. 635-641 ◽

Author(s):

E. Şenadım Tüzemen ◽

A. Turkoglu ◽

Y. Ergun ◽

I. Sokmen ◽

B. Tanatar

Keyword(s):

Quantum Well ◽

Double Quantum ◽

Exchange Correlation ◽

Exchange Correlation Potential ◽

Double Quantum Well ◽

Correlation Potential

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Toward the construction of an exchange-correlation potential in electronic-structure calculations of two-particle states in solids

Electron Correlations and Materials Properties 2 ◽

10.1007/978-1-4757-3760-8_19 ◽

2002 ◽

pp. 325-339

Author(s):

A. Gonis

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Exchange Correlation ◽

Exchange Correlation Potential ◽

Correlation Potential ◽

Structure Calculations

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Uniform electron gas limit of an exact expression for the Kohn–Sham exchange-correlation potential

Theoretical Chemistry Accounts ◽

10.1007/s00214-018-2303-3 ◽

2018 ◽

Vol 137 (9) ◽

Author(s):

Viktor N. Staroverov

Keyword(s):

Electron Gas ◽

Exact Expression ◽

Exchange Correlation ◽

Exchange Correlation Potential ◽

Correlation Potential ◽

Uniform Electron Gas

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