Mel Levy - Publications

Affiliations: 
Tulane University, New Orleans, LA, United States 
Area:
theoretical chemistry
Website:
http://www.iaqms.org/members/levy.php

100 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Zahariev F, Levy M. Properties of Augmented Kohn-Sham Potential for Energy as Simple Sum of Orbital Energies. The Journal of Physical Chemistry. A. PMID 28004931 DOI: 10.1021/acs.jpca.6b10952  1
2015 Ayers PW, Levy M, Nagy Á. Communication: Kohn-Sham theory for excited states of Coulomb systems. The Journal of Chemical Physics. 143: 191101. PMID 26590518 DOI: 10.1063/1.4934963  1
2015 Aad G, Abbott B, Abdallah J, Abdinov O, Aben R, Abolins M, AbouZeid OS, Abramowicz H, Abreu H, Abreu R, Abulaiti Y, Acharya BS, Adamczyk L, Adams DL, Adelman J, ... ... Levy M, et al. Combined Measurement of the Higgs Boson Mass in pp Collisions at sqrt[s]=7 and 8 TeV with the ATLAS and CMS Experiments. Physical Review Letters. 114: 191803. PMID 26024162 DOI: 10.1103/PhysRevLett.114.191803  0.01
2014 Levy M, Zahariev F. 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. 113: 113002. PMID 25259974 DOI: 10.1103/PhysRevLett.113.113002  1
2014 Levy M, Anderson JS, Zadeh FH, Ayers PW. Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number. The Journal of Chemical Physics. 140: 18A538. PMID 24832346 DOI: 10.1063/1.4871734  1
2014 Ayers PW, Levy M. Tight constraints on the exchange-correlation potentials of degenerate states. The Journal of Chemical Physics. 140: 18A537. PMID 24832345 DOI: 10.1063/1.4871732  1
2014 Levy M. Thoughts upon the approaching thirtieth anniversary of two seminal coordinate scaling papers in density functional theory Indian Journal of Chemistry - Section a Inorganic, Physical, Theoretical and Analytical Chemistry. 53: 932.  1
2012 Ayers PW, Levy M, Nagy A. Time-independent density-functional theory for excited states of Coulomb systems Physical Review a - Atomic, Molecular, and Optical Physics. 85. DOI: 10.1103/PhysRevA.85.042518  1
2010 Levy M. On the simple constrained-search reformulation of the Hohenberg-Kohn theorem to include degeneracies and more (1964-1979) International Journal of Quantum Chemistry. 110: 3140-3144. DOI: 10.1002/qua.22895  1
2009 Bulat FA, Levy M, Politzer P. Average local ionization energies in the Hartree-Fock and Kohn-Sham theories. The Journal of Physical Chemistry. A. 113: 1384-9. PMID 19170562 DOI: 10.1021/jp809406p  1
2009 Bulat FA, Levy M. Formal expressions and corresponding expansions for the exact Kohn-Sham exchange potential Physical Review a - Atomic, Molecular, and Optical Physics. 80. DOI: 10.1103/PhysRevA.80.052510  1
2009 Valone SM, Levy M. Stretched hydrogen molecule from a constrained-search density-functional perspective Physical Review a - Atomic, Molecular, and Optical Physics. 80. DOI: 10.1103/PhysRevA.80.042501  1
2009 Ayers PW, Levy M. Time-independent (static) density-functional theories for pure excited states: Extensions and unification Physical Review a - Atomic, Molecular, and Optical Physics. 80. DOI: 10.1103/PhysRevA.80.012508  1
2009 Levy M, Ayers PW. Kinetic energy from a single Kohn-Sham orbital Physical Review a - Atomic, Molecular, and Optical Physics. 79. DOI: 10.1103/PhysRevA.79.064504  1
2009 Sagvolden E, Perdew JP, Levy M. Comment on "functional derivative of the universal density functional in Fock space" Physical Review a - Atomic, Molecular, and Optical Physics. 79. DOI: 10.1103/PhysRevA.79.026501  1
2008 Görling A, Hesselmann A, Jones M, Levy M. Relation between exchange-only optimized potential and Kohn-Sham methods with finite basis sets, and effect of linearly dependent products of orbital basis functions. The Journal of Chemical Physics. 128: 104104. PMID 18345874 DOI: 10.1063/1.2826366  1
2007 Glushkov VN, Levy M. Optimized effective potential method for individual low-lying excited states Journal of Chemical Physics. 126. DOI: 10.1063/1.2733657  1
2006 Ayers PW, Golden S, Levy M. Generalizations of the Hohenberg-Kohn theorem: I. Legendre transform constructions of variational principles for density matrices and electron distribution functions. The Journal of Chemical Physics. 124: 054101. PMID 16468845 DOI: 10.1063/1.2006087  1
2006 Wedderburn KM, Bililign S, Levy M, Gdanitz RJ. Geometries and stabilities of 3d-transition metal-cation benzene complexes, M+Bzn (M = Sc-Cu, n = 1, 2) Chemical Physics. 326: 600-604. DOI: 10.1016/j.chemphys.2006.03.025  1
2005 Ayers PW, Levy M. Using the Kohn-Sham formalism in pair density-functional theories Chemical Physics Letters. 415: 211-216. DOI: 10.1016/j.cplett.2005.08.059  1
2005 Ayers PW, Levy M. Generalized density-functional theory: Conquering the N-representability problem with exact functional for the electron pair density and the second-order reduced density matrix Journal of Chemical Sciences. 117: 507-514.  1
2003 Ivanov S, Levy M. Connections between ground-state energies from optimized-effective potential exchange-only and Hartree-Fock methods Journal of Chemical Physics. 119: 7087-7093. DOI: 10.1063/1.1602693  1
2002 Ivanov S, Levy M. Accurate correlation potentials from integral formulation of density functional perturbation theory Journal of Chemical Physics. 116: 6924-6929. DOI: 10.1063/1.1453952  1
2001 Levy M, Ziesche P. The pair density functional of the kinetic energy and its simple scaling property Journal of Chemical Physics. 115: 9110-9112. DOI: 10.1063/1.1413976  1
2001 Ayers PW, Levy M. Sum rules for exchange and correlation potentials Journal of Chemical Physics. 115: 4438-4443. DOI: 10.1063/1.1379333  1
2001 Nagy A, Levy M. Variational density-functional theory for degenerate excited states Physical Review a. Atomic, Molecular, and Optical Physics. 63: 525021-525026.  1
2000 Görling A, Heinze HH, Levy M. Adiabatic perturbation theory for Van der Waals coefficients Journal of Molecular Structure: Theochem. 501: 271-276. DOI: 10.1016/S0166-1280(99)00438-8  1
2000 Ayers PW, Levy M. Perspective on "Density functional approach to the frontier-electron theory of chemical reactivity" Theoretical Chemistry Accounts. 103: 353-360.  1
1999 Ivanov S, Levy M. Adiabatic integration formula for the correlation energy functional of the Hartree-Fock density Theoretical Chemistry Accounts. 103: 117-123.  1
1999 Seidl M, Perdew JP, Levy M. Strictly correlated electrons in density-functional theory Physical Review a - Atomic, Molecular, and Optical Physics. 59: 51-54.  1
1999 Levy M, Nagy A. Variational Density-Functional Theory for an Individual Excited State Physical Review Letters. 83: 4361-4364.  1
1999 Ivanov S, Burke K, Levy M. Exact high-density limit of correlation potential for two-electron density Journal of Chemical Physics. 110: 10262-10268.  1
1999 Levy M, Nagy A. Excited-state Koopmans theorem for ensembles Physical Review a - Atomic, Molecular, and Optical Physics. 59: 1687-1693.  1
1998 Ivanov S, Lopez-Boada R, Görling A, Levy M. Closed-form expression relating the second-order component of the density functional theory correlation energy to its functional derivative Journal of Chemical Physics. 109: 6280-6286. DOI: 10.1063/1.477269  1
1998 Ivanov S, Levy M. Second-Order Relations Involving Correlation Energy and its Functional Derivative Advances in Quantum Chemistry. 33: 11-29. DOI: 10.1016/S0065-3276(08)60427-X  1
1998 Nagy A, Levy M. Tests for new ionization formula in density functional theory Chemical Physics Letters. 296: 313-315.  1
1998 Ivanov S, Levy M. Connections between high-density scaling limits of DFT correlation energies and second-order Z-1 quantum chemistry correlation energy Journal of Physical Chemistry A. 102: 3151-3156.  1
1997 Perdew JP, Levy M. Comment on "Significance of the highest occupied Kohn-Sham eigenvalue" Physical Review B-Condensed Matter. 56: 16021-16028.  1
1997 Levy M, March NH. Line-integral formulas for exchange and correlation potentials separately Physical Review a - Atomic, Molecular, and Optical Physics. 55: 1885-1889.  1
1997 Holas A, Levy M. Partition of integral equations for exchange and correlation potentials Physical Review a - Atomic, Molecular, and Optical Physics. 56: 1031-1034.  1
1997 Levy M. Additive density functional correlation corrections to single particle theories International Journal of Quantum Chemistry. 61: 281-285.  1
1997 Görling A, Levy M. Hybrid schemes combining the Hartree-Fock method and density-functional theory: Underlying formalism and properties of correlation functionals Journal of Chemical Physics. 106: 2675-2680.  1
1996 Levy M. Elementary concepts in density functional theory Theoretical and Computational Chemistry. 4: 3-24. DOI: 10.1016/S1380-7323(96)80083-5  1
1996 Levy M, March NH, Handy NC. On the adiabatic connection method, and scaling of electron-electron interactions in the Thomas-Fermi limit Journal of Chemical Physics. 104: 1989-1992.  1
1996 Joubert D, Levy M. Convexity and the translational-invariance constraint on the exchange-correlation functional Physical Review a - Atomic, Molecular, and Optical Physics. 54: 961-963.  1
1996 Seidl A, Görling A, Vogl P, Majewski JA, Levy M. Generalized Kohn-Sham schemes and the band-gap problem Physical Review B - Condensed Matter and Materials Physics. 53: 3764-3774.  1
1996 Levy M, Görling A. Approach to density-functional ionization energy Physical Review B - Condensed Matter and Materials Physics. 53: 969-972.  1
1996 Levy M, Ernzerhof M, Görling A. Exact local exchange potential from Fock equations at vanishing coupling constant, and δTc/δn from wave-function calculations at full coupling constant Physical Review a - Atomic, Molecular, and Optical Physics. 53: 3963-3965.  1
1996 Levy M, Görling A. Density-functional exchange identity from coordinate scaling Physical Review a - Atomic, Molecular, and Optical Physics. 53: 3140-3142.  1
1996 Burke K, Perdew JP, Levy M. Improving energies by using exact electron densities Physical Review a - Atomic, Molecular, and Optical Physics. 53: R2915-R2917.  1
1995 Levy M. Excitation energies from density-functional orbital energies Physical Review A. 52: R4313-R4315. DOI: 10.1103/PhysRevA.52.R4313  1
1995 Levy M, Görling A. Correlation-energy density-functional formulas from correlating first-order density matrices Physical Review A. 52: R1808-R1810. DOI: 10.1103/PhysRevA.52.R1808  1
1995 Görling A, Levy M. Hardness of molecules and the band gap of solids within the Kohn-Sham formalism: A perturbation-scaling approach Physical Review A. 52: 4493-4499. DOI: 10.1103/PhysRevA.52.4493  1
1995 Levy M, Görling A. Bounds for the exchange and correlation potentials Physical Review A. 51: 2851-2856. DOI: 10.1103/PhysRevA.51.2851  1
1995 Burke K, Perdew JP, Levy M. Semilocal density functionals for exchange and correlation: Theory and applications Theoretical and Computational Chemistry. 2: 29-74. DOI: 10.1016/S1380-7323(05)80032-9  1
1994 Görling A, Levy M. Exact Kohn-Sham scheme based on perturbation theory Physical Review A. 50: 196-204. DOI: 10.1103/PhysRevA.50.196  1
1994 Levy M, Görling A. Recent constrained-search advances for approximating density functionals Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties. 69: 763-769. DOI: 10.1080/01418639408240145  1
1993 Zhao Q, Levy M, Parr RG. Applications of coordinate-scaling procedures to the exchange-correlation energy. Physical Review. A. 47: 918-922. PMID 9909011 DOI: 10.1103/PhysRevA.47.918  1
1993 Levy M, Perdew JP. Tight bound and convexity constraint on the exchange-correlation-energy functional in the low-density limit, and other formal tests of generalized-gradient approximations Physical Review B. 48: 11638-11645. DOI: 10.1103/PhysRevB.48.11638  1
1993 Görling A, Levy M. Correlation-energy functional and its high-density limit obtained from a coupling-constant perturbation expansion Physical Review B. 47: 13105-13113. DOI: 10.1103/PhysRevB.47.13105  1
1993 Görling A, Levy M, Perdew JP. Expectation values in density-functional theory, and kinetic contribution to the exchange-correlation energy Physical Review B. 47: 1167-1173. DOI: 10.1103/PhysRevB.47.1167  1
1992 Görling A, Levy M. Requirements for correlation energy density functionals from coordinate transformations Physical Review A. 45: 1509-1517. DOI: 10.1103/PhysRevA.45.1509  1
1991 Ou-Yang H, Levy M. Theorem for functional derivatives in density-functional theory Physical Review A. 44: 54-58. DOI: 10.1103/PhysRevA.44.54  1
1991 Levy M. Density-functional exchange correlation through coordinate scaling in adiabatic connection and correlation hole Physical Review A. 43: 4637-4646. DOI: 10.1103/PhysRevA.43.4637  1
1990 Ou-Yang H, Levy M. Theorem for exact local exchange potential Physical Review Letters. 65: 1036-1039. DOI: 10.1103/PhysRevLett.65.1036  1
1990 Wilson LC, Levy M. Nonlocal Wigner-like correlation-energy density functional through coordinate scaling Physical Review B. 41: 12930-12932. DOI: 10.1103/PhysRevB.41.12930  1
1990 Levy M, Ou-Yang H. Nonuniform coordinate scaling requirements for exchange-correlation energy Physical Review A. 42: 651-652. DOI: 10.1103/PhysRevA.42.651  1
1990 Hui Ou-Yang, Levy M. Nonuniform coordinate scaling requirements in density-functional theory Physical Review A. 42: 155-160. DOI: 10.1103/PhysRevA.42.155  1
1990 Hui Ou-Yang, Levy M. Path dependence of the Harbola-Sahni exchange potential Physical Review A. 41: 4038-4041. DOI: 10.1103/PhysRevA.41.4038  1
1990 Levy M. Constrained-Search Formulation And Recent Coordinate Scaling In Density-Functional Theory Advances in Quantum Chemistry. 21: 69-95. DOI: 10.1016/S0065-3276(08)60592-4  1
1989 Cioslowski J, Levy M. Comment on Density-matrix formulation of ab initio methods of nonrelativistic quantum mechanics Physical Review A. 40: 6727. DOI: 10.1103/PhysRevA.40.6727  1
1988 Perdew JP, Levy M, Painter GS, Wei S, Lagowski JB. Chemical bond as a test of density-gradient expansions for kinetic and exchange energies Physical Review B. 37: 838-843. DOI: 10.1103/PhysRevB.37.838  1
1988 Levy M, Hui Ou-Yang. Exact properties of the Pauli potential for the square root of the electron density and the kinetic energy functional Physical Review A. 38: 625-629. DOI: 10.1103/PhysRevA.38.625  1
1987 Levy M, Goldstein JA. Electron density-functional theory and x-ray structure factors Physical Review B. 35: 7887-7890. DOI: 10.1103/PhysRevB.35.7887  1
1987 Levy M, Pathak RK, Perdew JP, Wei S. Indirect-path methods for atomic and molecular energies, and new Koopmans theorems Physical Review A. 36: 2491-2494. DOI: 10.1103/PhysRevA.36.2491  1
1987 Osburn JE, Levy M. Energies, electron densities, and first-order density matrices from one-body external potentials. II Physical Review A. 35: 3233-3243. DOI: 10.1103/PhysRevA.35.3233  1
1987 Politzer P, Levy M. Energy differences from electrostatic potentials at nuclei The Journal of Chemical Physics. 87: 5044-5046.  1
1986 Sahni V, Levy M. Exchange and correlation energies in density-functional theory: Bounds from available data Physical Review B. 33: 3869-3872. DOI: 10.1103/PhysRevB.33.3869  1
1986 Levy M, Perdew JP. Success of quantum mechanical approximations for molecular geometries and electron-nuclear attraction expectation values: Gift of the Coulomb potential? The Journal of Chemical Physics. 84: 4519-4523.  1
1985 Perdew JP, Levy M. Extrema of the density functional for the energy: Excited states from the ground-state theory Physical Review B. 31: 6264-6272. DOI: 10.1103/PhysRevB.31.6264  1
1985 Levy M, Perdew JP. Hellmann-Feynman, virial, and scaling requisites for the exact universal density functionals. Shape of the correlation potential and diamagnetic susceptibility for atoms Physical Review A. 32: 2010-2021. DOI: 10.1103/PhysRevA.32.2010  1
1985 Levy M, Yang W, Parr RG. A new functional with homogeneous coordinate scaling in density functional theory: F[ρ, λ] The Journal of Chemical Physics. 83: 2334-2336.  1
1984 Levy M, Perdew JP, Sahni V. Exact differential equation for the density and ionization energy of a many-particle system Physical Review A. 30: 2745-2748. DOI: 10.1103/PhysRevA.30.2745  1
1984 Goldstein JA, Levy M. Hilbert-Schmidt approximation problems arising in quantum chemistry Advances in Applied Mathematics. 5: 216-225. DOI: 10.1016/0196-8858(84)90008-3  1
1983 Perdew JP, Levy M. Physical content of the exact kohn-sham orbital energies: Band gaps and derivative discontinuities Physical Review Letters. 51: 1884-1887. DOI: 10.1103/PhysRevLett.51.1884  1
1982 Perdew JP, Parr RG, Levy M, Balduz JL. Density-functional theory for fractional particle number: Derivative discontinuities of the energy Physical Review Letters. 49: 1691-1694. DOI: 10.1103/PhysRevLett.49.1691  1
1982 Levy M. Electron densities in search of Hamiltonians Physical Review A. 26: 1200-1208. DOI: 10.1103/PhysRevA.26.1200  1
1982 Tal Y, Levy M. Recursion theory for nonrelativistic ground-state atomic energies and expectation values of r-1 Physical Review A. 25: 1838-1845. DOI: 10.1103/PhysRevA.25.1838  1
1982 Freed KF, Levy M. Direct first principles algorithm for the universal electron density functional The Journal of Chemical Physics. 77: 396-398.  1
1982 Levy M, Tal Y, Clement SC. A discontinuous energy-density functional The Journal of Chemical Physics. 77: 3140-3147.  1
1981 Tal Y, Levy M. Expectation values of atoms and ions: The Thomas-Fermi limit Physical Review A. 23: 408-415. DOI: 10.1103/PhysRevA.23.408  1
1980 Dupré MJ, Goldstein JA, Levy M. The nearest self-adjoint operator The Journal of Chemical Physics. 72: 780-781.  1
1980 Tal Y, Levy M. Rigorous and approximate relations between expectation values of atoms The Journal of Chemical Physics. 72: 4009-4013.  1
1980 Levy M, Tal Y. Energy-density relations and screening constants in atoms The Journal of Chemical Physics. 73: 5168-5173.  1
1979 Levy M, Tal Y. Atomic binding energies from fundamental theorems involving the electron density, 〈r-1〉, and the Z-1 perturbation expansion The Journal of Chemical Physics. 72: 3416-3417.  1
1979 Levy M. On approximate energy differences from average electron densities The Journal of Chemical Physics. 70: 1573-1574.  1
1979 Levy M. Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem Proceedings of the National Academy of Sciences of the United States of America. 76: 6062-6065.  1
1978 Levy M. An energy-density equation for isoelectronic changes in atoms The Journal of Chemical Physics. 68: 5298-5299.  1
1977 Howard RE, Levy M, Shull H, Hagstrom S. Transferability of electron pair wavefunctions. III. A minimal basis strongly orthogonal geminal calculation of the hydrogen peroxide hindered rotation potential The Journal of Chemical Physics. 66: 5181-5188.  1
1977 Levy M. Variational energy functionals involving one-electron operators The Journal of Chemical Physics. 67: 724-726.  1
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