Numerically stable optimized effective potential method with standard Gaussian basis sets

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

Numerically stable optimized effective potential method with balanced Gaussian basis sets

2007 ◽  
Vol 127 (5) ◽  
pp. 054102 ◽  
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

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

1990 ◽  
Vol 148 (8-9) ◽  
pp. 470-474 ◽  
Author(s):  
J.B. Krieger ◽  
Yan Li ◽  
G.J. Iafrate
Keyword(s):  
Effective Potential ◽  
Potential Method ◽  
Optimized Effective Potential ◽  
Exact Relations

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

2014 ◽  
Vol 140 (18) ◽  
pp. 18A535 ◽  
Author(s):  
Sviataslau V. Kohut ◽  
Ilya G. Ryabinkin ◽  
Viktor N. Staroverov
Keyword(s):  
Effective Potential ◽  
Potential Method ◽  
Optimized Effective Potential

Alternative approach to the optimized effective potential method

1998 ◽  
Vol 57 (5) ◽  
pp. 3425-3432 ◽  
Author(s):  
L. Fritsche ◽  
Jianmin Yuan
Keyword(s):  
Effective Potential ◽  
Potential Method ◽  
Alternative Approach ◽  
Optimized Effective Potential

scholarly journals Relativistic optimized effective potential method—application to alkali metals

2009 ◽  
Vol 21 (6) ◽  
pp. 064208 ◽  
Author(s):  
D Ködderitzsch ◽  
H Ebert ◽  
H Akai ◽  
E Engel
Keyword(s):  
Effective Potential ◽  
Alkali Metals ◽  
Potential Method ◽  
Optimized Effective Potential

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

2002 ◽  
Vol 318 (4) ◽  
pp. 328-332 ◽  
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

scholarly journals Nonanalyticity of the optimized effective potential with finite basis sets

2012 ◽  
Vol 85 (5) ◽  
Author(s):  
Nikitas I. Gidopoulos ◽  
Nektarios N. Lathiotakis
Keyword(s):  
Effective Potential ◽  
Finite Basis ◽  
Basis Sets ◽  
Optimized Effective Potential
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