Density-functional approach to electron dynamics: Stable simulation under a self-consistent field

Osamu Sugino; Yoshiyuki Miyamoto

doi:10.1103/physrevb.59.2579

Density-functional approach to electron dynamics: Stable simulation under a self-consistent field

Physical Review B ◽

10.1103/physrevb.59.2579 ◽

1999 ◽

Vol 59 (4) ◽

pp. 2579-2586 ◽

Cited By ~ 140

Author(s):

Osamu Sugino ◽

Yoshiyuki Miyamoto

Keyword(s):

Density Functional ◽

Functional Approach ◽

Electron Dynamics ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Erratum: Density-functional approach to electron dynamics: Stable simulation under a self-consistent field [Phys. Rev. B59, 2579 (1999)]

Physical Review B ◽

10.1103/physrevb.66.089901 ◽

2002 ◽

Vol 66 (8) ◽

Cited By ~ 37

Author(s):

Osamu Sugino ◽

Yoshiyuki Miyamoto

Keyword(s):

Density Functional ◽

Functional Approach ◽

Electron Dynamics ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Combined Self-Consistent-Field and Spin-Flip Tamm–Dancoff Density Functional Approach to Potential Energy Surfaces for Photochemistry

The Journal of Physical Chemistry Letters ◽

10.1021/jz301935x ◽

2012 ◽

Vol 4 (2) ◽

pp. 253-258 ◽

Cited By ~ 37

Author(s):

Xuefei Xu ◽

Samer Gozem ◽

Massimo Olivucci ◽

Donald G. Truhlar

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Density Functional ◽

Functional Approach ◽

Consistent Field ◽

Spin Flip ◽

Self Consistent ◽

Self Consistent Field ◽

Energy Surfaces

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Variational calculation with general density functional to solve the electronic Schrödinger equation directly for ground state: a recipe for self-consistent field solution

Journal of Theoretical and Applied Physics ◽

10.1186/2251-7235-7-61 ◽

2013 ◽

Vol 7 (1) ◽

pp. 61 ◽

Cited By ~ 1

Author(s):

Sandor Kristyan

Keyword(s):

Schrödinger Equation ◽

Ground State ◽

Schrodinger Equation ◽

Density Functional ◽

Variational Calculation ◽

Field Solution ◽

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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A Sparse Self-Consistent Field Algorithm and Its Parallel Implementation: Application to Density-Functional-Based Tight Binding

Journal of Chemical Theory and Computation ◽

10.1021/ct500115v ◽

2014 ◽

Vol 10 (6) ◽

pp. 2344-2354 ◽

Cited By ~ 10

Author(s):

Anthony Scemama ◽

Nicolas Renon ◽

Mathias Rapacioli

Keyword(s):

Density Functional ◽

Parallel Implementation ◽

Tight Binding ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field

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Density Functional Theory versus Complete Active Space Self-Consistent Field Investigation of the Half-Metallic Character of Graphite-Like and Amorphous Carbon Nanoparticles

The Journal of Physical Chemistry A ◽

10.1021/jp502207n ◽

2014 ◽

Vol 118 (34) ◽

pp. 7052-7057 ◽

Cited By ~ 6

Author(s):

Oleksiy V. Khavryuchenko ◽

Volodymyr D. Khavryuchenko ◽

Gilles H. Peslherbe

Keyword(s):

Carbon Nanoparticles ◽

Density Functional ◽

Field Investigation ◽

Functional Theory ◽

Half Metallic ◽

Complete Active Space ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Theory Versus

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Interrelation between density functional and self‐consistent‐field formulations for inhomogeneous polymer systems

The Journal of Chemical Physics ◽

10.1063/1.470255 ◽

1995 ◽

Vol 103 (8) ◽

pp. 3230-3239 ◽

Cited By ~ 30

Author(s):

Karl F. Freed

Keyword(s):

Density Functional ◽

Polymer Systems ◽

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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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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