Direct comparison of optimized effective potential and Hartree-Fock self-consistent calculations for jellium slabs

Physical Review B ◽

10.1103/physrevb.85.165133 ◽

2012 ◽

Vol 85 (16) ◽

Author(s):

H. Luo ◽

C. M. Horowitz ◽

H.-J. Flad ◽

C. R. Proetto ◽

W. Hackbusch

Keyword(s):

Effective Potential ◽

Hartree Fock ◽

Self Consistent ◽

Optimized Effective Potential

Download Full-text

- Single Determinantal Approximations: Hartree–Fock, Optimized Effective Potential Theory, Density Functional Theory

Concepts and Methods in Modern Theoretical Chemistry ◽

10.1201/b14048-21 ◽

2016 ◽

pp. 290-331

Keyword(s):

Density Functional Theory ◽

Potential Theory ◽

Effective Potential ◽

Density Functional ◽

Functional Theory ◽

Hartree Fock ◽

Optimized Effective Potential

Download Full-text

Self-consistent iterative solution of exchange-only optimized effective potential equations for simple metal clusters in the jellium model

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/18/1/005 ◽

2005 ◽

Vol 18 (1) ◽

pp. 75-85 ◽

Author(s):

M Payami ◽

T Mahmoodi

Keyword(s):

Effective Potential ◽

Metal Clusters ◽

Iterative Solution ◽

Jellium Model ◽

Simple Metal ◽

Self Consistent ◽

Optimized Effective Potential

Download Full-text

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 ◽

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

Download Full-text

Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method

The Journal of Chemical Physics ◽

10.1063/1.4964319 ◽

2016 ◽

Vol 145 (14) ◽

pp. 144102 ◽

Author(s):

Szymon Śmiga ◽

Odile Franck ◽

Bastien Mussard ◽

Adam Buksztel ◽

Ireneusz Grabowski ◽

...

Keyword(s):

Density Functional Theory ◽

Effective Potential ◽

Density Functional ◽

Potential Method ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Self Consistent ◽

Optimized Effective Potential ◽

Hybrid Density Functional

Download Full-text

Connections between ground-state energies from optimized-effective potential exchange-only and Hartree–Fock methods

The Journal of Chemical Physics ◽

10.1063/1.1602693 ◽

2003 ◽

Vol 119 (14) ◽

pp. 7087-7093 ◽

Author(s):

Stanislav Ivanov ◽

Mel Levy

Keyword(s):

Effective Potential ◽

Ground State ◽

Hartree Fock ◽

Optimized Effective Potential ◽

Ground State Energies

Download Full-text

Self-Consistent Range-Separated Density-Functional Theory with Second-Order Perturbative Correction via the Optimized-Effective-Potential Method

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00807 ◽

2019 ◽

Vol 16 (1) ◽

pp. 211-223 ◽

Author(s):

Szymon Śmiga ◽

Ireneusz Grabowski ◽

Mateusz Witkowski ◽

Bastien Mussard ◽

Julien Toulouse

Keyword(s):

Density Functional Theory ◽

Effective Potential ◽

Density Functional ◽

Potential Method ◽

Second Order ◽

Functional Theory ◽

Perturbative Correction ◽

Self Consistent ◽

Optimized Effective Potential

Download Full-text

Single Determinantal Approximations: Hartree–Fock, Optimized Effective Potential Theory, Density Functional Theory

Concepts and Methods in Modern Theoretical Chemistry, Two Volume Set ◽

10.1201/b15083-21 ◽

2020 ◽

pp. 288-329

Keyword(s):

Density Functional Theory ◽

Potential Theory ◽

Effective Potential ◽

Density Functional ◽

Functional Theory ◽

Hartree Fock ◽

Optimized Effective Potential

Download Full-text

Spin contamination for Hartree-Fock, optimized effective potential, and density functional approximations

The Journal of Chemical Physics ◽

10.1063/1.2805367 ◽

2007 ◽

Vol 127 (23) ◽

pp. 234103 ◽

Author(s):

Iris Theophilou ◽

S. Thanos ◽

A. K. Theophilou

Keyword(s):

Effective Potential ◽

Density Functional ◽

Spin Contamination ◽

Hartree Fock ◽

Optimized Effective Potential

Download Full-text

Generalized Optimized Effective Potential for Orbital Functionals and Self-Consistent Calculation of Random Phase Approximations

The Journal of Physical Chemistry Letters ◽

10.1021/acs.jpclett.7b02165 ◽

2017 ◽

Vol 8 (19) ◽

pp. 4746-4751 ◽

Author(s):

Ye Jin ◽

Du Zhang ◽

Zehua Chen ◽

Neil Qiang Su ◽

Weitao Yang

Keyword(s):

Effective Potential ◽

Random Phase ◽

Consistent Calculation ◽

Self Consistent ◽

Optimized Effective Potential

Download Full-text

Bounds on the overlap of the Hartree-Fock, optimized effective potential, and density functional approximations with the exact energy eigenstates

The Journal of Chemical Physics ◽

10.1063/1.2204601 ◽

2006 ◽

Vol 124 (20) ◽

pp. 204109 ◽

Author(s):

S. Thanos ◽

A. K. Theophilou

Keyword(s):

Effective Potential ◽

Density Functional ◽

Energy Eigenstates ◽

Hartree Fock ◽

Optimized Effective Potential ◽

Download Full-text