M. Levy

发表

Comment on: Functional derivative of the universal density functional in Fock space

J. Perdew, E. Sagvolden, M. Levy, 2009 .

Time-independent density-functional theory for excited states of Coulomb systems

Á. Nagy, P. Ayers, M. Levy, 2012 .

Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem.

M. Levy, 1979, Proceedings of the National Academy of Sciences of the United States of America.

Long‐range behavior of natural orbitals and electron density

R. Parr, M. Levy, Marilyn M. Morrell, 1975 .

Quantum distribution of Gaussian keys using squeezed states

N. Cerf, G. V. Assche, M. Levy, 2000, quant-ph/0008058.

Generalized density-functional theory: Conquering theN-representability problem with exact functionals for the electron pair density and the second-order reduced density matrix

P. Ayers, M. Levy, 2005 .

Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

J. Perdew, R. Parr, M. Levy, 1982 .

Electronegativity: The density functional viewpoint

R. Parr, M. Levy, R. Donnelly, 1978 .

Linear algebra and quantum chemistry

Jerome A. Goldstein, Mel Levy, J. Goldstein, 1991 .

Transferability of electron pair wavefunctions. III. A minimal basis strongly orthogonal geminal calculation of the hydrogen peroxide hindered rotation potential

H. Shull, M. Levy, R. Howard, 1977 .

Correlation Energies from Hartree-Fock Electrostatic Potentials at Nuclei and Generation of Electrostatic Potentials from Asymptotic and Zero-Order Information

M. Levy, Y. Tal, S. C. Clement, 1981 .

Atomic binding energies from fundamental theorems involving the electron density, 〈r−1〉, and the Z−1 perturbation expansion

M. Levy, Y. Tal, 1980 .

Quantum distribution of Gaussian keys using squeezed states

N. Cerf, G. V. Assche, M. Levy, 2000, quant-ph/0008058.

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

M. Levy, F. Zahariev, 2017, The journal of physical chemistry. A.

Adiabatic perturbation theory for Van der Waals coefficients

M. Levy, A. Görling, H. Heinze, 2000 .

Adiabatic integration formula for the correlation energy functional of the Hartree–Fock density

M. Levy, Stanislav Ivanov, 1999 .

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

M. Levy, Daniel J. Sharpe, D. Tozer, 2018, Journal of chemical theory and computation.

On the cusp constraints in extended Hartree—Fock methods

M. Levy, 1972 .

An Algorithm for Calculating Isoelectronic Changes in Energies, Densities, and One-Matrices

M. Levy, Jean E. Osburn, 1987 .

Generalized Variational Theorem in Quantum Mechanics

M. Levy, A. Gonis, 2015 .

Can the Hartree-Fock kinetic energy exceed the exact kinetic energy?

M. Levy, K. Burke, S. Crisostomo, 2022, The Journal of chemical physics.

CONNECTIONS BETWEEN HIGH-DENSITY SCALING LIMITS OF DFT CORRELATION ENERGIES AND SECOND-ORDER Z-1 QUANTUM CHEMISTRY CORRELATION ENERGY

M. Levy, Stanislav Ivanov, 1998 .

Success of quantum mechanical approximations for molecular geometries and electron–nuclear attraction expectation values: Gift of the Coulomb potential?

J. Perdew, M. Levy, 1986 .

Geometries and stabilities of 3d-transition metal-cation benzene complexes, M+Bzn (M = Sc–Cu, n = 1, 2)

M. Levy, R. Gdanitz, S. Bililign, 2006 .

Transferability of electron pairs between H2O and H2O2

W. J. Stevens, H. Shull, M. Levy, 1974 .

Correlation Energy Functionals of One-Matrices and Hartree-Fock Densities

M. Levy, 1987 .

Elementary Concepts in Density Functional Theory

M. Levy, 1996 .

Method for direct determination of localized orbitals

R. Parr, M. Levy, Tsun‐Shi Nee, 1975 .

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

P. Ayers, M. Levy, 2000 .

The Constrained Search Formulation of Density Functional Theory

J. Perdew, M. Levy, 1985 .

Optimized effective potential method for individual low-lying excited states.

M. Levy, V. Glushkov, 2007, The Journal of chemical physics.

Comment on ``Significance of the highest occupied Kohn-Sham eigenvalue''

John P. Perdew, Mel Levy, J. Perdew, 1997 .

Exact differential equation for the density and ionization energy of a many-particle system

John P. Perdew, Mel Levy, Viraht Sahni, 1984 .

Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities

John P. Perdew, Mel Levy, J. Perdew, 1983 .

Apparent Two Energy Gaps in Pure Niobium

M. Levy, K. Maki, R. Kagiwada, 1971 .

DENSITY FUNCTIONAL THEORY FOR OPEN SYSTEMS

J. Perdew, M. Levy, 1984 .

A discontinuous energy–density functional

M. Levy, Y. Tal, S. C. Clement, 1982 .

Electron densities in search of Hamiltonians

Mel Levy, M. Levy, 1982 .

Transferability of intrageminal correlation energies and occupation coefficients

M. Levy, 1974 .

Michael Seidl, John P. Perdew, Mel Levy, 1999 .

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

P. Gori-Giorgi, M. Levy, Stefan Vuckovic, 2017, The Journal of chemical physics.

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

R. O. Jones, P. Gori-Giorgi, G. Vignale, 2022, Physical chemistry chemical physics : PCCP.

Semilocal Density Functionals for Exchange and Correlation : Theory and Applications

K. Burke, J. Perdew, M. Levy, 2022 .

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

M. Levy, P. Ziesche, 2001 .

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

K. Burke, J. Perdew, B. Santra, 2020, The Journal of chemical physics.

Coordinate Scaling Requirements for Approximating Exchange and Correlation

M. Levy, 1995 .

Nonlocal Density Functionals for Exchange and Correlation: Theory and Applications

K. Burke, J. Perdew, M. Levy, 1995 .

Generalizations of the Hohenberg-Kohn theorem: I. Legendre transform constructions of variational principles for density matrices and electron distribution functions.

P. Ayers, M. Levy, S. Golden, 2006, The Journal of chemical physics.

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

P. Ayers, M. Levy, 2005 .

Can the Hartree-Fock kinetic energy exceed the exact kinetic energy?

M. Levy, K. Burke, S. Crisostomo, 2022, The Journal of chemical physics.

Accurate correlation potentials from integral formulation of density functional perturbation theory

M. Levy, Stanislav Ivanov, 2002 .

Variational density-functional theory for degenerate excited states

Á. Nagy, M. Levy, 2001 .

Variational Density-Functional Theory for an Individual Excited State

Á. Nagy, M. Levy, 1999 .

EXACT HIGH-DENSITY LIMIT OF CORRELATION POTENTIAL FOR TWO-ELECTRON DENSITY

K. Burke, M. Levy, Stanislav Ivanov, 1999 .

Tests for new ionization formula in density functional theory

Á. Nagy, M. Levy, 1998 .

Stretched hydrogen molecule from a constrained-search density-functional perspective

M. Levy, S. Valone, 2009 .

Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number.

James S. M. Anderson, P. Ayers, M. Levy, 2014, The Journal of chemical physics.

Tight constraints on the exchange-correlation potentials of degenerate states.

P. Ayers, M. Levy, 2014, The Journal of chemical physics.

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

M. Levy, Stanislav Ivanov, 2003 .

THE QUANTUM-MECHANICAL HARTREE-FOCK STAIRCASE METHOD FOR MOLECULAR ELECTRONIC ENERGIES

M. Levy, 1988 .

Energy differences from electrostatic potentials at nuclei

P. Politzer, M. Levy, 1987 .

The nearest self‐adjoint operator

M. Dupré, J. Goldstein, M. Levy, 1980 .

Recent constrained-search advances for approximating density functionals

M. Levy, A. Görling, 1994 .

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

J. Perdew, M. Levy, Aaron D. Kaplan, 2020, Annual review of physical chemistry.

The Constrained Search Approach, Mappings to External Potentials, and Virial-Like Theorems for Electron-Density and One-Matrix Energy-Functional Theories

M. Levy, 1984 .

Nodal variational principle for excited states

M. Gordon, M. Levy, F. Zahariev, 2016, Physical Review A.

Expectation values of atoms and ions: The Thomas-Fermi limit

M. Levy, Y. Tal, 1981 .

Communication: Kohn-Sham theory for excited states of Coulomb systems.

Á. Nagy, P. Ayers, M. Levy, 2015, The Journal of chemical physics.

Time-Independent Theories for a Single Excited State

Á. Nagy, P. Ayers, M. Levy, 2009 .

Rigorous and approximate relations between expectation values of atoms

M. Levy, Y. Tal, 1980 .

Relation between exchange-only optimized potential and Kohn-Sham methods with finite basis sets, and effect of linearly dependent products of orbital basis functions.

M. Levy, A. Görling, A. Hesselmann, 2008, The Journal of chemical physics.

EXCITED-STATE KOOPMANS THEOREM FOR ENSEMBLES

Á. Nagy, M. Levy, 1999 .

Formal expressions and corresponding expansions for the exact Kohn-Sham exchange potential

M. Levy, F. Bulat, 2009 .

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

M. Levy, F. Zahariev, 2016, 1602.02447.

Mathematical thoughts in DFT

M. Levy, 2016 .

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

M. Levy, 2010 .

Constrained-Search Formulation And Recent Coordinate Scaling In Density-Functional Theory

Mel Levy, M. Levy, 1990 .

Hybrid schemes combining the Hartree–Fock method and density-functional theory: Underlying formalism and properties of correlation functionals

Mel Levy, Andreas Görling, M. Levy, 1997 .

Transferability of electron pair wavefunctions. IV. Recreation of the hydrogen peroxide hindered rotation potential

H. Shull, M. Levy, R. Howard, 1977 .

DFT ionization formulas and a DFT perturbation theory for exchange and correlation, through adiabatic connection

Mel Levy, Andreas Görling, M. Levy, 1995 .

Time-independent density functional theory for degenerate excited states of Coulomb systems

Á. Nagy, P. Ayers, M. Levy, 2018, Theoretical Chemistry Accounts.

Extent of localization of orbitals in loges and the electron pair concept

M. Levy, 1976 .

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

J. Perdew, M. Levy, New Orleans., 2022, Annual review of physical chemistry.

Hellmann-Feynman, virial, and scaling requisites for the exact universal density functionals. Shape of the correlation potential and diamagnetic susceptibility for atoms.

J. Perdew, Perdew, Lévy, 1985, Physical review. A, General physics.

Density-functional exchange correlation through coordinate scaling in adiabatic connection and correlation hole.

Lévy, M. Levy, Levy, 1991, Physical review. A, Atomic, molecular, and optical physics.

In defense of the Hohenberg–Kohn theorem and density functional theory

J. Perdew, M. Levy, 1982 .

Density functionals for exchange and correlation energies: Exact conditions and comparison of approximations

John P. Perdew, Mel Levy, J. Perdew, 1994 .

Energy‐density relations and screening constants in atoms

M. Levy, Y. Tal, 1980 .

Sum rules for exchange and correlation potentials

Paul W. Ayers, Mel Levy, P. Ayers, 2001 .

Second-Order Relations Involving Correlation Energy and its Functional Derivative

M. Levy, Stanislav Ivanov, 1998 .

New exact relations for improving the exchange and correlation potentials

M. Levy, A. Görling, 1995 .

Exact Kohn-Sham scheme based on perturbation theory.

Görling, Lévy, M. Levy, 1994, Physical review. A, Atomic, molecular, and optical physics.

Correlation-energy functional and its high-density limit obtained from a coupling-constant perturbation expansion.

Görling, Lévy, M. Levy, 1993, Physical review. B, Condensed matter.

Approximate noninteracting kinetic energy functionals from a nonuniform scaling requirement

Mel Levy, M. Levy, Hui Ou-Yang, 1991 .

ON THE ADIABATIC CONNECTION METHOD, AND SCALING OF ELECTRON-ELECTRON INTERACTIONS IN THE THOMAS-FERMI LIMIT

N. H. March, N. Handy, M. Levy, 1996 .

ADDITIVE DENSITY FUNCTIONAL CORRELATION CORRECTIONS TO SINGLE PARTICLE THEORIES

M. Levy, 1997 .

Unconstrained exchange localization and distant orbital tails

M. Levy, 1976 .

Transferability of Strongly Orthogonal Geminals between H2O and H2O2

W. J. Stevens, H. Shull, M. Levy, 1970 .