# Mel Levy - Publications

## Affiliations: | Tulane University, New Orleans, LA, United States |

##### Area:

theoretical chemistry##### Website:

http://www.iaqms.org/members/levy.phpYear | Citation | Score | |||
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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. |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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. |
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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 |
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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 |
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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 |
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2001 | Ayers PW, Levy M. Sum rules for exchange and correlation potentials Journal of Chemical Physics. 115: 4438-4443. DOI: 10.1063/1.1379333 |
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2001 | Nagy A, Levy M. Variational density-functional theory for degenerate excited states Physical Review a. Atomic, Molecular, and Optical Physics. 63: 525021-525026. |
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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 |
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2000 | Ayers PW, Levy M. Perspective on "Density functional approach to the frontier-electron theory of chemical reactivity" Theoretical Chemistry Accounts. 103: 353-360. |
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1999 | Ivanov S, Levy M. Adiabatic integration formula for the correlation energy functional of the Hartree-Fock density Theoretical Chemistry Accounts. 103: 117-123. |
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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. |
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1999 | Levy M, Nagy A. Variational Density-Functional Theory for an Individual Excited State Physical Review Letters. 83: 4361-4364. |
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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. |
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1999 | Levy M, Nagy A. Excited-state Koopmans theorem for ensembles Physical Review a - Atomic, Molecular, and Optical Physics. 59: 1687-1693. |
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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 |
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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 |
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1998 | Nagy A, Levy M. Tests for new ionization formula in density functional theory Chemical Physics Letters. 296: 313-315. |
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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. |
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1997 | Perdew JP, Levy M. Comment on "Significance of the highest occupied Kohn-Sham eigenvalue" Physical Review B-Condensed Matter. 56: 16021-16028. |
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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. |
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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. |
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1997 | Levy M. Additive density functional correlation corrections to single particle theories International Journal of Quantum Chemistry. 61: 281-285. |
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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. |
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1996 | Levy M. Elementary concepts in density functional theory Theoretical and Computational Chemistry. 4: 3-24. DOI: 10.1016/S1380-7323(96)80083-5 |
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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. |
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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. |
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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. |
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1996 | Levy M, Görling A. Approach to density-functional ionization energy Physical Review B - Condensed Matter and Materials Physics. 53: 969-972. |
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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. |
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1996 | Levy M, Görling A. Density-functional exchange identity from coordinate scaling Physical Review a - Atomic, Molecular, and Optical Physics. 53: 3140-3142. |
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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. |
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1995 | Levy M. Excitation energies from density-functional orbital energies Physical Review A. 52: R4313-R4315. DOI: 10.1103/PhysRevA.52.R4313 |
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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 |
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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 |
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1995 | Levy M, Görling A. Bounds for the exchange and correlation potentials Physical Review A. 51: 2851-2856. DOI: 10.1103/PhysRevA.51.2851 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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1990 | Ou-Yang H, Levy M. Theorem for exact local exchange potential Physical Review Letters. 65: 1036-1039. DOI: 10.1103/PhysRevLett.65.1036 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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1987 | Politzer P, Levy M. Energy differences from electrostatic potentials at nuclei The Journal of Chemical Physics. 87: 5044-5046. |
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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 |
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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. |
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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 |
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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 |
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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. |
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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 |
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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 |
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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 |
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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 |
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1982 | Levy M. Electron densities in search of Hamiltonians Physical Review A. 26: 1200-1208. DOI: 10.1103/PhysRevA.26.1200 |
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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 |
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1982 | Freed KF, Levy M. Direct first principles algorithm for the universal electron density functional The Journal of Chemical Physics. 77: 396-398. |
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1982 | Levy M, Tal Y, Clement SC. A discontinuous energy-density functional The Journal of Chemical Physics. 77: 3140-3147. |
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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 |
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1980 | Dupré MJ, Goldstein JA, Levy M. The nearest self-adjoint operator The Journal of Chemical Physics. 72: 780-781. |
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1980 | Tal Y, Levy M. Rigorous and approximate relations between expectation values of atoms The Journal of Chemical Physics. 72: 4009-4013. |
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1980 | Levy M, Tal Y. Energy-density relations and screening constants in atoms The Journal of Chemical Physics. 73: 5168-5173. |
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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. |
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1979 | Levy M. On approximate energy differences from average electron densities The Journal of Chemical Physics. 70: 1573-1574. |
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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. |
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1978 | Levy M. An energy-density equation for isoelectronic changes in atoms The Journal of Chemical Physics. 68: 5298-5299. |
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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. |
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1977 | Levy M. Variational energy functionals involving one-electron operators The Journal of Chemical Physics. 67: 724-726. |
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