Numerically stable optimized effective potential method with standard Gaussian basis sets

Egor Trushin; Andreas Görling

doi:10.1063/5.0056431

Numerically stable optimized effective potential method with standard Gaussian basis sets

The Journal of Chemical Physics ◽

10.1063/5.0056431 ◽

2021 ◽

Vol 155 (5) ◽

pp. 054109

Author(s):

Egor Trushin ◽

Andreas Görling

Keyword(s):

Effective Potential ◽

Potential Method ◽

Basis Sets ◽

Gaussian Basis Sets ◽

Optimized Effective Potential

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Numerically stable optimized effective potential method with balanced Gaussian basis sets

The Journal of Chemical Physics ◽

10.1063/1.2751159 ◽

2007 ◽

Vol 127 (5) ◽

pp. 054102 ◽

Cited By ~ 110

Author(s):

Andreas Heßelmann ◽

Andreas W. Götz ◽

Fabio Della Sala ◽

Andreas Görling

Keyword(s):

Effective Potential ◽

Potential Method ◽

Basis Sets ◽

Gaussian Basis Sets ◽

Optimized Effective Potential

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Optimized effective potential method: Is it possible to obtain an accurate representation of the response function for finite orbital basis sets?

The Journal of Chemical Physics ◽

10.1063/1.2777144 ◽

2007 ◽

Vol 127 (11) ◽

pp. 114104 ◽

Cited By ~ 30

Author(s):

Christian Kollmar ◽

Michael Filatov

Keyword(s):

Response Function ◽

Effective Potential ◽

Potential Method ◽

Basis Sets ◽

Accurate Representation ◽

Orbital Basis ◽

Optimized Effective Potential

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Optimized-effective-potential method with exact exchange and exact RPA correlation-3d metals

Journal of Magnetism and Magnetic Materials ◽

10.1016/s0304-8853(97)00441-1 ◽

1998 ◽

Vol 177-181 ◽

pp. 569-570 ◽

Cited By ~ 21

Author(s):

Takao Kotani ◽

Hisazumi Akai

Keyword(s):

Effective Potential ◽

Potential Method ◽

3D Metals ◽

Exact Exchange ◽

Optimized Effective Potential

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Exact relations in the optimized effective potential method employing an arbitrary Exc[}ψiσ{]

Physics Letters A ◽

10.1016/0375-9601(90)90501-e ◽

1990 ◽

Vol 148 (8-9) ◽

pp. 470-474 ◽

Cited By ~ 50

Author(s):

J.B. Krieger ◽

Yan Li ◽

G.J. Iafrate

Keyword(s):

Effective Potential ◽

Potential Method ◽

Optimized Effective Potential ◽

Exact Relations

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Hierarchy of model Kohn–Sham potentials for orbital-dependent functionals: A practical alternative to the optimized effective potential method

The Journal of Chemical Physics ◽

10.1063/1.4871500 ◽

2014 ◽

Vol 140 (18) ◽

pp. 18A535 ◽

Cited By ~ 28

Author(s):

Sviataslau V. Kohut ◽

Ilya G. Ryabinkin ◽

Viktor N. Staroverov

Keyword(s):

Effective Potential ◽

Potential Method ◽

Optimized Effective Potential

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Alternative approach to the optimized effective potential method

Physical Review A ◽

10.1103/physreva.57.3425 ◽

1998 ◽

Vol 57 (5) ◽

pp. 3425-3432 ◽

Cited By ~ 33

Author(s):

L. Fritsche ◽

Jianmin Yuan

Keyword(s):

Effective Potential ◽

Potential Method ◽

Alternative Approach ◽

Optimized Effective Potential

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Relativistic optimized effective potential method—application to alkali metals

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/21/6/064208 ◽

2009 ◽

Vol 21 (6) ◽

pp. 064208 ◽

Cited By ~ 5

Author(s):

D Ködderitzsch ◽

H Ebert ◽

H Akai ◽

E Engel

Keyword(s):

Effective Potential ◽

Alkali Metals ◽

Potential Method ◽

Optimized Effective Potential

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Ensemble-Hartree–Fock scheme for excited states. The optimized effective potential method

Physica B Condensed Matter ◽

10.1016/s0921-4526(02)00799-8 ◽

2002 ◽

Vol 318 (4) ◽

pp. 328-332 ◽

Cited By ~ 17

Author(s):

N.I. Gidopoulos ◽

P.G. Papaconstantinou ◽

E.K.U. Gross

Keyword(s):

Excited States ◽

Effective Potential ◽

Potential Method ◽

Hartree Fock ◽

Optimized Effective Potential

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Nonanalyticity of the optimized effective potential with finite basis sets

Physical Review A ◽

10.1103/physreva.85.052508 ◽

2012 ◽

Vol 85 (5) ◽

Cited By ~ 20

Author(s):

Nikitas I. Gidopoulos ◽

Nektarios N. Lathiotakis

Keyword(s):

Effective Potential ◽

Finite Basis ◽

Basis Sets ◽

Optimized Effective Potential

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An optimized-effective-potential method for solids with exact exchange and random-phase approximation correlation

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/10/41/007 ◽

1998 ◽

Vol 10 (41) ◽

pp. 9241-9261 ◽

Cited By ~ 68

Author(s):

Takao Kotani

Keyword(s):

Effective Potential ◽

Random Phase Approximation ◽

Random Phase ◽

Potential Method ◽

Phase Approximation ◽

Exact Exchange ◽

Optimized Effective Potential

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