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Ground-state energy as a simple sum of orbital energies in Kohn-Sham theory: a shift in perspective through a shift in potential

Physical review letters, 2014-09, Vol.113 (11), p.113002-113002, Article 113002

2014

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Perspective on "Density functional approach to the frontier-electron theory of chemical reactivity"

Theoretical chemistry accounts, 2000-02, Vol.103 (3-4), p.353-360

2000

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Levy Constrained Search in Fock Space:An Alternative Approach to Noninteger Electron Number

物理化学学报, 2018-03, Vol.34 (6), p.625-630

2018

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Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn–Sham Theory

Journal of chemical theory and computation, 2018-02, Vol.14 (2), p.684-692

2018

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Comment on “Significance of the highest occupied Kohn-Sham eigenvalue”

Physical review. B, Condensed matter, 1997-12, Vol.56 (24), p.16021-16028

1997

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Variational Density-Functional Theory for an Individual Excited State

Physical review letters, 1999-11, Vol.83 (21), p.4361-4364

1999

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Mathematical thoughts in DFT

International journal of quantum chemistry, 2016-06, Vol.116 (11), p.802-804

Levy, Mel

2016

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On the best partitioning of the density functional energy

Journal of molecular modeling, 2018-11, Vol.24 (11), p.311-1, Article 311

Levy, Mel

2018

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Average Local Ionization Energies in the Hartree−Fock and Kohn−Sham Theories

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-02, Vol.113 (7), p.1384-1389

2009

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Exact Kohn-Sham scheme based on perturbation theory

Physical review. A, Atomic, molecular, and optical physics, 1994-07, Vol.50 (1), p.196-204

1994

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Properties of Augmented Kohn–Sham Potential for Energy as Simple Sum of Orbital Energies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-01, Vol.121 (1), p.342-347

2017

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The Predictive Power of Exact Constraints and Appropriate Norms in Density Functional Theory

Annual review of physical chemistry, 2023-04, Vol.74 (1), p.193-218

2023

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Strictly correlated electrons in density-functional theory

Physical review. A, Atomic, molecular, and optical physics, 1999-01, Vol.59 (1), p.51-54

1999

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The pair density functional of the kinetic energy and its simple scaling property

The Journal of chemical physics, 2001-11, Vol.115 (20), p.9110-9112

2001

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Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT

The Journal of chemical physics, 2017-12, Vol.147 (21), p.214107-214107

2017

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On the simple constrained-search reformulation of the Hohenberg-Kohn theorem to include degeneracies and more (1964-1979)

International journal of quantum chemistry, 2010-12, Vol.110 (15), p.3140-3144

Levy, Mel

2010

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On augmented Kohn-Sham potential for energy as a simple sum of orbital energies

Molecular physics, 2016-04, Vol.114 (7-8), p.1162-1164

2016

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Using the Kohn–Sham formalism in pair density-functional theories

Chemical physics letters, 2005-11, Vol.415 (4), p.211-216

2005

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Density- and spin-density-functional theories through spin-free wave functions

Physical review. A, 2019-12, Vol.100 (6), Article 062507

2019

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DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Physical chemistry chemical physics : PCCP, 2022-12, Vol.24 (47), p.287-28781

2022

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Accurate correlation potentials from integral formulation of density functional perturbation theory

The Journal of chemical physics, 2002-04, Vol.116 (16), p.6924-6929

2002

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Energy components in spin-density functional theory

Physical review. A, 2021-08, Vol.104 (2), Article 022815

2021

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Highly Excited States from a Time Independent Density Functional Method

Computation, 2016-09, Vol.4 (3), p.28

2016

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Hardness of molecules and the band gap of solids within the Kohn-Sham formalism: A perturbation-scaling approach

Physical review. A, Atomic, molecular, and optical physics, 1995-12, Vol.52 (6), p.4493-4499

1995

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Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory

The Journal of chemical physics, 2020-08, Vol.153 (7), p.074114-074114

2020

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Ground-state energy as a simple sum of orbital energies in Kohn-Sham theory: a shift in perspective through a shift in potential

Perspective on "Density functional approach to the frontier-electron theory of chemical reactivity"

Levy Constrained Search in Fock Space:An Alternative Approach to Noninteger Electron Number

Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn–Sham Theory

Comment on “Significance of the highest occupied Kohn-Sham eigenvalue”

Variational Density-Functional Theory for an Individual Excited State

Mathematical thoughts in DFT

On the best partitioning of the density functional energy

Average Local Ionization Energies in the Hartree−Fock and Kohn−Sham Theories

Exact Kohn-Sham scheme based on perturbation theory

Properties of Augmented Kohn–Sham Potential for Energy as Simple Sum of Orbital Energies

The Predictive Power of Exact Constraints and Appropriate Norms in Density Functional Theory

Strictly correlated electrons in density-functional theory

The pair density functional of the kinetic energy and its simple scaling property

Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT

On the simple constrained-search reformulation of the Hohenberg-Kohn theorem to include degeneracies and more (1964-1979)

On augmented Kohn-Sham potential for energy as a simple sum of orbital energies

Using the Kohn–Sham formalism in pair density-functional theories

Density- and spin-density-functional theories through spin-free wave functions

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

Accurate correlation potentials from integral formulation of density functional perturbation theory

Energy components in spin-density functional theory

Highly Excited States from a Time Independent Density Functional Method

Hardness of molecules and the band gap of solids within the Kohn-Sham formalism: A perturbation-scaling approach

Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory

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