Novel Electron Correlation Methods: Multiconfigurational Density Functional Theory.

The vibrational spectra of furoxan and dichlorofuroxan: A comparative theoretical study using density functional theory and local electron correlation methods

Physical Chemistry Chemical Physics ◽

10.1039/b212590k ◽

2003 ◽

Vol 5 (10) ◽

pp. 2001 ◽

Cited By ~ 25

Author(s):

Guntram Rauhut ◽

Hans-Joachim Werner

Keyword(s):

Density Functional Theory ◽

Vibrational Spectra ◽

Electron Correlation ◽

Density Functional ◽

Theoretical Study ◽

Local Electron ◽

Functional Theory ◽

Correlation Methods

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Electron correlation and the self-interaction error of density functional theory

Molecular Physics ◽

10.1080/00268970110111788 ◽

2002 ◽

Vol 100 (11) ◽

pp. 1771-1790 ◽

Cited By ~ 141

Author(s):

VICTOR POLO ◽

ELFI KRAKA ◽

DIETER CREMER

Keyword(s):

Density Functional Theory ◽

Electron Correlation ◽

Density Functional ◽

The Self ◽

Functional Theory

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Understanding electron correlation energy through density functional theory

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2019.112669 ◽

2020 ◽

Vol 1172 ◽

pp. 112669 ◽

Cited By ~ 2

Author(s):

Teepanis Chachiyo ◽

Hathaithip Chachiyo

Keyword(s):

Density Functional Theory ◽

Electron Correlation ◽

Density Functional ◽

Correlation Energy ◽

Functional Theory ◽

Electron Correlation Energy

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Analyzing effects of strong electron correlation within Kohn-Sham density-functional theory

Physical Review A ◽

10.1103/physreva.88.032510 ◽

2013 ◽

Vol 88 (3) ◽

Cited By ~ 9

Author(s):

Emil Proynov ◽

Fenglai Liu ◽

Jing Kong

Keyword(s):

Density Functional Theory ◽

Electron Correlation ◽

Density Functional ◽

Strong Electron Correlation ◽

Strong Electron ◽

Functional Theory

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Finite-temperature-based time-dependent density-functional theory method for static electron correlation systems

The Journal of Chemical Physics ◽

10.1063/1.5144527 ◽

2020 ◽

Vol 152 (24) ◽

pp. 244111

Author(s):

Takeshi Yoshikawa ◽

Toshiki Doi ◽

Hiromi Nakai

Keyword(s):

Density Functional Theory ◽

Electron Correlation ◽

Finite Temperature ◽

Density Functional ◽

Density Functional Theory Method ◽

Time Dependent ◽

Theory Method ◽

Functional Theory ◽

Static Electron ◽

Dependent Density

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Erratum: Analyzing effects of strong electron correlation within Kohn-Sham density-functional theory [Phys. Rev. A88, 032510 (2013)]

Physical Review A ◽

10.1103/physreva.88.049903 ◽

2013 ◽

Vol 88 (4) ◽

Author(s):

Emil Proynov ◽

Fenglai Liu ◽

Jing Kong

Keyword(s):

Density Functional Theory ◽

Electron Correlation ◽

Density Functional ◽

Strong Electron Correlation ◽

Strong Electron ◽

Functional Theory

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Combined Approach of Density Functional Theory and Quantum Monte Carlo Method to Electron Correlation in Dilute Magnetic Semiconductors

Journal of the Physical Society of Japan ◽

10.1143/jpsj.78.083703 ◽

2009 ◽

Vol 78 (8) ◽

pp. 083703 ◽

Cited By ~ 14

Author(s):

Jun-ichiro Ohe ◽

Yoshihiro Tomoda ◽

Nejat Bulut ◽

Ryotaro Arita ◽

Kazuma Nakamura ◽

...

Keyword(s):

Density Functional Theory ◽

Monte Carlo ◽

Electron Correlation ◽

Quantum Monte Carlo ◽

Density Functional ◽

Magnetic Semiconductors ◽

Dilute Magnetic Semiconductors ◽

Combined Approach ◽

Functional Theory ◽

Quantum Monte Carlo Method

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Bond Breaking and Bond Formation: How Electron Correlation is Captured in Many-Body Perturbation Theory and Density-Functional Theory

Physical Review Letters ◽

10.1103/physrevlett.110.146403 ◽

2013 ◽

Vol 110 (14) ◽

Cited By ~ 61

Author(s):

Fabio Caruso ◽

Daniel R. Rohr ◽

Maria Hellgren ◽

Xinguo Ren ◽

Patrick Rinke ◽

...

Keyword(s):

Density Functional Theory ◽

Perturbation Theory ◽

Electron Correlation ◽

Density Functional ◽

Bond Formation ◽

Bond Breaking ◽

Many Body ◽

Functional Theory ◽

Many Body Perturbation Theory

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The bonding character of the cyclic AlSO and GaSO species: ab initio investigations at density functional theory and the electron correlation levels

Chemical Physics Letters ◽

10.1016/s0009-2614(00)00429-2 ◽

2000 ◽

Vol 322 (6) ◽

pp. 503-512 ◽

Cited By ~ 10

Author(s):

Yuxiang Bu

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Electron Correlation ◽

Density Functional ◽

Functional Theory

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The self-interaction error and the description of non-dynamic electron correlation in density functional theory

Theoretical Chemistry Accounts ◽

10.1007/s00214-009-0545-9 ◽

2009 ◽

Vol 123 (3-4) ◽

pp. 171-182 ◽

Cited By ~ 35

Author(s):

Jürgen Gräfenstein ◽

Dieter Cremer

Keyword(s):

Density Functional Theory ◽

Electron Correlation ◽

Density Functional ◽

The Self ◽

Functional Theory

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