Density Functional Theory (DFT), Hartree��Fock (HF), and the Self-consistent Field

Encyclopedia of Computational Chemistry ◽

10.1002/0470845015.cda011 ◽

2002 ◽

Cited By ~ 2

Author(s):

Peter M. W. Gill

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

The Self ◽

Functional Theory ◽

Hartree Fock ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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On the Convergence of the Self-Consistent Field Iteration in Kohn--Sham Density Functional Theory

SIAM Journal on Matrix Analysis and Applications ◽

10.1137/130911032 ◽

2014 ◽

Vol 35 (2) ◽

pp. 546-558 ◽

Cited By ~ 11

Author(s):

Xin Liu ◽

Xiao Wang ◽

Zaiwen Wen ◽

Yaxiang Yuan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

The Self ◽

Functional Theory ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Computing the self-consistent field in Kohn–Sham density functional theory

Journal of Physics Condensed Matter ◽

10.1088/1361-648x/ab31c0 ◽

2019 ◽

Vol 31 (45) ◽

pp. 453001 ◽

Cited By ~ 8

Author(s):

N D Woods ◽

M C Payne ◽

P J Hasnip

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

The Self ◽

Functional Theory ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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The influence of the geometric parameters on the electronic properties of faujasite cluster models as derived from density functional theory and Hartree Fock–self consistent field methods

Journal of Molecular Catalysis A Chemical ◽

10.1016/s1381-1169(97)00191-x ◽

1998 ◽

Vol 129 (2-3) ◽

pp. 287-295 ◽

Cited By ~ 5

Author(s):

S Krishnamurty ◽

S Pal ◽

R Vetrivel ◽

A.K Chandra ◽

A Goursot ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Geometric Parameters ◽

Field Methods ◽

Functional Theory ◽

Hartree Fock ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Elliptic Preconditioner for Accelerating the Self-Consistent Field Iteration in Kohn--Sham Density Functional Theory

SIAM Journal on Scientific Computing ◽

10.1137/120880604 ◽

2013 ◽

Vol 35 (5) ◽

pp. S277-S298 ◽

Cited By ~ 31

Author(s):

Lin Lin ◽

Chao Yang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

The Self ◽

Functional Theory ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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On preconditioning the self-consistent field iteration in real-space Density Functional Theory

Chemical Physics Letters ◽

10.1016/j.cplett.2019.136983 ◽

2020 ◽

Vol 739 ◽

pp. 136983 ◽

Cited By ~ 2

Author(s):

Shashikant Kumar ◽

Qimen Xu ◽

Phanish Suryanarayana

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Real Space ◽

The Self ◽

Functional Theory ◽

Space Density ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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New procedure to evaluate aromaticity at the density functional theory, Hartree-Fock, and post-self-consistent field levels

Journal of Computational Chemistry ◽

10.1002/jcc.21614 ◽

2010 ◽

Vol 32 (2) ◽

pp. 248-259 ◽

Cited By ~ 4

Author(s):

Peng Bao ◽

Zhong-Heng Yu

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Hartree Fock ◽

Consistent Field ◽

The Density Functional Theory ◽

Self Consistent ◽

Self Consistent Field

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The Self-Consistent Field Concept in Density Functional Theory

Energy Density Functional Theory of Many-Electron Systems ◽

10.1007/978-94-009-1970-9_8 ◽

1990 ◽

pp. 591-701

Author(s):

Eugene S. Kryachko ◽

Eduardo V. Ludeña

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

The Self ◽

Functional Theory ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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The Exchange-only Self-consistent Field Procedure in the Local-Scaling Version of Density Functional Theory: Some Theoretical and Practical Considerations

Condensed Matter Theories ◽

10.1007/978-1-4615-2934-7_33 ◽

1993 ◽

pp. 373-383 ◽

Cited By ~ 4

Author(s):

Eugene S. Kryachko ◽

E. V. Ludeña ◽

R. Lopez-Boada ◽

J. Maldonado

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Local Scaling ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Assessment of density functional theory based ΔSCF (self-consistent field) and linear response methods for longest wavelength excited states of extended π-conjugated molecular systems

The Journal of Chemical Physics ◽

10.1063/1.4887087 ◽

2014 ◽

Vol 141 (2) ◽

pp. 024112 ◽

Cited By ~ 30

Author(s):

Michael Filatov ◽

Miquel Huix-Rotllant

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Linear Response ◽

Density Functional ◽

Functional Theory ◽

Molecular Systems ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Self-Consistent Field Theory and Density Functional Theory for Self-Organization in Polymeric Systems

Journal of the Physical Society of Japan ◽

10.1143/jpsj.78.041009 ◽

2009 ◽

Vol 78 (4) ◽

pp. 041009 ◽

Cited By ~ 4

Author(s):

Takashi Taniguchi

Keyword(s):

Field Theory ◽

Density Functional Theory ◽

Density Functional ◽

Self Organization ◽

Functional Theory ◽

Polymeric Systems ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

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Density Functional Theory (DFT), Hartree���Fock (HF), and the Self-consistent Field

On the Convergence of the Self-Consistent Field Iteration in Kohn--Sham Density Functional Theory

Computing the self-consistent field in Kohn–Sham density functional theory

The influence of the geometric parameters on the electronic properties of faujasite cluster models as derived from density functional theory and Hartree Fock–self consistent field methods

Elliptic Preconditioner for Accelerating the Self-Consistent Field Iteration in Kohn--Sham Density Functional Theory

On preconditioning the self-consistent field iteration in real-space Density Functional Theory

New procedure to evaluate aromaticity at the density functional theory, Hartree-Fock, and post-self-consistent field levels

The Self-Consistent Field Concept in Density Functional Theory

The Exchange-only Self-consistent Field Procedure in the Local-Scaling Version of Density Functional Theory: Some Theoretical and Practical Considerations

Assessment of density functional theory based ΔSCF (self-consistent field) and linear response methods for longest wavelength excited states of extended π-conjugated molecular systems

Self-Consistent Field Theory and Density Functional Theory for Self-Organization in Polymeric Systems

Density Functional Theory (DFT), Hartree��Fock (HF), and the Self-consistent Field