Unity of Kohn-Sham density-functional theory and reduced-density-matrix-functional theory

Physical Review A ◽

10.1103/physreva.104.052809 ◽

2021 ◽

Vol 104 (5) ◽

Author(s):

Neil Qiang Su

Keyword(s):

Density Functional Theory ◽

Density Matrix ◽

Density Functional ◽

Reduced Density Matrix ◽

Functional Theory ◽

Reduced Density

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Self-consistent many-body perturbation theory in range-separated density-functional theory: A one-electron reduced-density-matrix-based formulation

Physical Review A ◽

10.1103/physreva.78.022504 ◽

2008 ◽

Vol 78 (2) ◽

Author(s):

Emmanuel Fromager ◽

Hans Jørgen Aa. Jensen

Keyword(s):

Density Functional Theory ◽

Perturbation Theory ◽

Density Matrix ◽

Density Functional ◽

Reduced Density Matrix ◽

Many Body ◽

Functional Theory ◽

Self Consistent ◽

Many Body Perturbation Theory ◽

Reduced Density

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Generalized density-functional theory: Conquering theN-representability problem with exact functionals for the electron pair density and the second-order reduced density matrix

Journal of Chemical Sciences ◽

10.1007/bf02708356 ◽

2005 ◽

Vol 117 (5) ◽

pp. 507-514 ◽

Author(s):

Paul W. Ayers ◽

Mel Levy

Keyword(s):

Density Functional Theory ◽

Density Matrix ◽

Density Functional ◽

Electron Pair ◽

Second Order ◽

Reduced Density Matrix ◽

Functional Theory ◽

Pair Density ◽

Reduced Density ◽

Electron Pair Density

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Combining Pair-Density Functional Theory and Variational Two-Electron Reduced-Density Matrix Methods

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.8b00988 ◽

2018 ◽

Vol 15 (1) ◽

pp. 290-302 ◽

Author(s):

Mohammad Mostafanejad ◽

A. Eugene DePrince

Keyword(s):

Density Functional Theory ◽

Density Matrix ◽

Density Functional ◽

Reduced Density Matrix ◽

Functional Theory ◽

Matrix Methods ◽

Pair Density ◽

Reduced Density

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Eliminating spin-contamination of spin-flip time dependent density functional theory within linear response formalism by the use of zeroth-order mixed-reference (MR) reduced density matrix

The Journal of Chemical Physics ◽

10.1063/1.5044202 ◽

2018 ◽

Vol 149 (10) ◽

pp. 104101 ◽

Author(s):

Seunghoon Lee ◽

Michael Filatov ◽

Sangyoub Lee ◽

Cheol Ho Choi

Keyword(s):

Density Functional Theory ◽

Density Matrix ◽

Linear Response ◽

Density Functional ◽

Time Dependent ◽

Reduced Density Matrix ◽

Zeroth Order ◽

Functional Theory ◽

Reduced Density ◽

Dependent Density

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Many-Body Quantum Dynamics by the Reduced Density Matrix Based on Time-Dependent Density-Functional Theory

Physical Review Letters ◽

10.1103/physrevlett.123.095302 ◽

2019 ◽

Vol 123 (9) ◽

Author(s):

Vladimir U. Nazarov

Keyword(s):

Density Functional Theory ◽

Quantum Dynamics ◽

Density Functional ◽

Time Dependent ◽

Reduced Density Matrix ◽

Many Body ◽

Functional Theory ◽

Many Body Quantum Dynamics ◽

Reduced Density ◽

Dependent Density

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Repulsively diverging gradient of the density functional in the Reduced Density Matrix Functional Theory

New Journal of Physics ◽

10.1088/1367-2630/ac309c ◽

2021 ◽

Author(s):

Tomasz Maciążek

Keyword(s):

Density Matrix ◽

Density Functional ◽

Reduced Density Matrix ◽

Functional Theory ◽

Reduced Density

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Reduced Density Matrix Functional Theory (RDMFT) and Linear Response Time-Dependent RDMFT (TD-RDMFT)

Density-Functional Methods for Excited States - Topics in Current Chemistry ◽

10.1007/128_2015_624 ◽

2015 ◽

pp. 125-183 ◽

Author(s):

Katarzyna Pernal ◽

Klaas J. H. Giesbertz

Keyword(s):

Density Matrix ◽

Response Time ◽

Linear Response ◽

Time Dependent ◽

Reduced Density Matrix ◽

Functional Theory ◽

Reduced Density

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Discontinuity of the chemical potential in reduced-density-matrix-functional theory for open-shell systems

Physical Review A ◽

10.1103/physreva.79.022504 ◽

2009 ◽

Vol 79 (2) ◽

Author(s):

N. Helbig ◽

N. N. Lathiotakis ◽

E. K. U. Gross

Keyword(s):

Density Matrix ◽

Chemical Potential ◽

Reduced Density Matrix ◽

Functional Theory ◽

Reduced Density

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Correlation measures as benchmarks in reduced density matrix functional theory

International Journal of Quantum Chemistry ◽

10.1002/qua.24069 ◽

2012 ◽

Vol 113 (6) ◽

pp. 762-765 ◽

Author(s):

N. N. Lathiotakis

Keyword(s):

Density Matrix ◽

Reduced Density Matrix ◽

Functional Theory ◽

Correlation Measures ◽

Reduced Density

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Exchange-correlation approximations for reduced-density-matrix-functional theory at finite temperature: Capturing magnetic phase transitions in the homogeneous electron gas

Physical Review A ◽

10.1103/physreva.96.062508 ◽

2017 ◽

Vol 96 (6) ◽

Author(s):

Tim Baldsiefen ◽

Attila Cangi ◽

F. G. Eich ◽

E. K. U. Gross

Keyword(s):

Phase Transitions ◽

Density Matrix ◽

Finite Temperature ◽

Magnetic Phase ◽

Electron Gas ◽

Magnetic Phase Transitions ◽

Reduced Density Matrix ◽

Functional Theory ◽

Exchange Correlation ◽

Reduced Density

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