Mel Levy
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Engineering Computer Science
Mel Levy's Degrees
- PhD Computer Science Stanford University
- Masters Electrical Engineering University of California, Berkeley
- Bachelors Computer Engineering University of California, Berkeley
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(Suggest an Edit or Addition)Mel Levy's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Electronegativity: The density functional viewpoint (1978) (2356)
- Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy (1982) (1955)
- Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem. (1979) (1512)
- Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities (1983) (1486)
- Exact differential equation for the density and ionization energy of a many-particle system (1984) (584)
- Electron densities in search of Hamiltonians (1982) (507)
- Perspective on “Density functional approach to the frontier-electron theory of chemical reactivity” (2000) (354)
- Comment on ``Significance of the highest occupied Kohn-Sham eigenvalue'' (1997) (298)
- Quantum distribution of Gaussian keys using squeezed states (2000) (290)
- Long‐range behavior of natural orbitals and electron density (1975) (257)
- Variational Density-Functional Theory for an Individual Excited State (1999) (162)
- Strictly correlated electrons in density-functional theory (1999) (125)
- DFT ionization formulas and a DFT perturbation theory for exchange and correlation, through adiabatic connection (1995) (106)
- Hybrid schemes combining the Hartree–Fock method and density-functional theory: Underlying formalism and properties of correlation functionals (1997) (80)
- Variational density-functional theory for degenerate excited states (2001) (71)
- Generalizations of the Hohenberg-Kohn theorem: I. Legendre transform constructions of variational principles for density matrices and electron distribution functions. (2006) (62)
- Generalized density-functional theory: Conquering theN-representability problem with exact functionals for the electron pair density and the second-order reduced density matrix (2005) (61)
- The Constrained Search Formulation of Density Functional Theory (1985) (55)
- The pair density functional of the kinetic energy and its simple scaling property (2001) (54)
- ON THE ADIABATIC CONNECTION METHOD, AND SCALING OF ELECTRON-ELECTRON INTERACTIONS IN THE THOMAS-FERMI LIMIT (1996) (52)
- Relation between exchange-only optimized potential and Kohn-Sham methods with finite basis sets, and effect of linearly dependent products of orbital basis functions. (2008) (47)
- EXACT HIGH-DENSITY LIMIT OF CORRELATION POTENTIAL FOR TWO-ELECTRON DENSITY (1999) (46)
- Density functionals for exchange and correlation energies: Exact conditions and comparison of approximations (1994) (43)
- Time-independent density-functional theory for excited states of Coulomb systems (2012) (42)
- EXCITED-STATE KOOPMANS THEOREM FOR ENSEMBLES (1999) (41)
- Expectation values of atoms and ions: The Thomas-Fermi limit (1981) (40)
- Time-independent (static) density-functional theories for pure excited states: Extensions and unification (2009) (39)
- Approximate noninteracting kinetic energy functionals from a nonuniform scaling requirement (1991) (38)
- Sum rules for exchange and correlation potentials (2001) (36)
- Direct first principles algorithm for the universal electron density functional (1982) (35)
- LINE-INTEGRAL FORMULAS FOR EXCHANGE AND CORRELATION POTENTIALS SEPARATELY (1997) (34)
- Linear algebra and quantum chemistry (1991) (34)
- Optimized effective potential method for individual low-lying excited states. (2007) (33)
- Correlation Energy Functionals of One-Matrices and Hartree-Fock Densities (1987) (33)
- A new functional with homogeneous coordinate scaling in density functional theory: F [ ρ,λ] (1985) (33)
- Constrained-Search Formulation And Recent Coordinate Scaling In Density-Functional Theory (1990) (32)
- Atomic binding energies from fundamental theorems involving the electron density, 〈r−1〉, and the Z−1 perturbation expansion (1980) (30)
- An energy‐density equation for isoelectronic changes in atoms (1978) (30)
- Rigorous and approximate relations between expectation values of atoms (1980) (28)
- Ground-state energy as a simple sum of orbital energies in Kohn-Sham theory: a shift in perspective through a shift in potential. (2014) (27)
- Average local ionization energies in the Hartree-Fock and Kohn-Sham theories. (2009) (26)
- Geometries and stabilities of 3d-transition metal-cation benzene complexes, M+Bzn (M = Sc–Cu, n = 1, 2) (2006) (26)
- Communication: Kohn-Sham theory for excited states of Coulomb systems. (2015) (26)
- Recent constrained-search advances for approximating density functionals (1994) (25)
- Success of quantum mechanical approximations for molecular geometries and electron–nuclear attraction expectation values: Gift of the Coulomb potential? (1986) (24)
- Connections between ground-state energies from optimized-effective potential exchange-only and Hartree-Fock methods (2003) (24)
- Perspective on “Density Functional Approach to the Frontier‐Electron Theory of Chemical Reactivity” (2000) (23)
- Accurate correlation potentials from integral formulation of density functional perturbation theory (2002) (23)
- Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT. (2017) (21)
- Method for direct determination of localized orbitals (1975) (20)
- A discontinuous energy–density functional (1982) (20)
- On approximate energy differences from average electron densities (1979) (19)
- On the simple constrained‐search reformulation of the Hohenberg–Kohn theorem to include degeneracies and more (1964–1979) (2010) (19)
- Energy‐density relations and screening constants in atoms (1980) (18)
- Time-independent density functional theory for degenerate excited states of Coulomb systems (2018) (18)
- Using the Kohn–Sham formalism in pair density-functional theories (2005) (18)
- CONNECTIONS BETWEEN HIGH-DENSITY SCALING LIMITS OF DFT CORRELATION ENERGIES AND SECOND-ORDER Z-1 QUANTUM CHEMISTRY CORRELATION ENERGY (1998) (17)
- Apparent Two Energy Gaps in Pure Niobium (1971) (17)
- DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science (2022) (16)
- Asymptotic coordinate scaling bound for exchange‐correlation energy in density‐functional theory (2009) (16)
- Comment on: Functional derivative of the universal density functional in Fock space (2009) (15)
- Transferability of electron pairs between H2O and H2O2 (1974) (15)
- In defense of the Hohenberg–Kohn theorem and density functional theory (1982) (14)
- Extent of localization of orbitals in loges and the electron pair concept (1976) (14)
- Transferability of Strongly Orthogonal Geminals between H2O and H2O2 (1970) (13)
- Elementary Concepts in Density Functional Theory (1996) (12)
- Unconstrained exchange localization and distant orbital tails (1976) (12)
- The nearest self‐adjoint operator (1980) (11)
- Mathematical thoughts in DFT (2016) (11)
- New exact relations for improving the exchange and correlation potentials (1995) (11)
- Energy differences from electrostatic potentials at nuclei (1987) (10)
- Coordinate Scaling Requirements for Approximating Exchange and Correlation (1995) (10)
- Semilocal Density Functionals for Exchange and Correlation : Theory and Applications (9)
- Density Functional Theory (1989) (9)
- Adiabatic integration formula for the correlation energy functional of the Hartree–Fock density (1999) (8)
- Kinetic energy from a single Kohn-Sham orbital (2009) (8)
- Nonlocal Density Functionals for Exchange and Correlation: Theory and Applications (1995) (8)
- DENSITY FUNCTIONAL THEORY FOR OPEN SYSTEMS (1984) (7)
- Highly Excited States from a Time Independent Density Functional Method (2016) (7)
- Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory. (2020) (7)
- Formal expressions and corresponding expansions for the exact Kohn-Sham exchange potential (2009) (7)
- Kinetic and electron-electron energies for convex sums of ground state densities with degeneracies and fractional electron number. (2014) (7)
- Special Issue in Honor of John P. Perdew for His 65th Birthday. (2009) (7)
- Tests for new ionization formula in density functional theory (1998) (7)
- Variational energy functionals involving one‐electron operators (1977) (6)
- Closed-form expression relating the second-order component of the density functional theory correlation energy to its functional derivative (1998) (6)
- Correlation Energies from Hartree-Fock Electrostatic Potentials at Nuclei and Generation of Electrostatic Potentials from Asymptotic and Zero-Order Information (1981) (6)
- On augmented Kohn–Sham potential for energy as a simple sum of orbital energies (2016) (5)
- Nodal variational principle for excited states (2016) (5)
- Transferability of intrageminal correlation energies and occupation coefficients (1974) (5)
- Tight constraints on the exchange-correlation potentials of degenerate states. (2014) (5)
- Stretched hydrogen molecule from a constrained-search density-functional perspective (2009) (4)
- Erratum: Tight bound and convexity constraint on the exchange-correlation-energy functionalsin the low-density limit, and other formal tests of generalized-gradient approximations [Phys. Rev. B 48, 11638 (1993)] (1997) (4)
- Transferability of electron pair wavefunctions. III. A minimal basis strongly orthogonal geminal calculation of the hydrogen peroxide hindered rotation potential (1977) (4)
- Hilbert-Schmidt approximation problems arising in quantum chemistry (1984) (4)
- Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn-Sham Theory. (2018) (3)
- Recursion theory for nonrelativistic ground-state atomic energies and expectation values of r − 1 (1982) (3)
- Time-Independent Theories for a Single Excited State (2009) (3)
- Nonlocal correlation energy functionals and coupling constant integration (1991) (3)
- Second-Order Relations Involving Correlation Energy and its Functional Derivative (1998) (3)
- Properties of Augmented Kohn-Sham Potential for Energy as Simple Sum of Orbital Energies. (2017) (3)
- The Constrained Search Approach, Mappings to External Potentials, and Virial-Like Theorems for Electron-Density and One-Matrix Energy-Functional Theories (1984) (3)
- On the cusp constraints in extended Hartree—Fock methods (1972) (3)
- Transferability of electron pair wavefunctions. IV. Recreation of the hydrogen peroxide hindered rotation potential (1977) (3)
- ADDITIVE DENSITY FUNCTIONAL CORRELATION CORRECTIONS TO SINGLE PARTICLE THEORIES (1997) (3)
- Adiabatic perturbation theory for Van der Waals coefficients (2000) (3)
- The Predictive Power of Exact Constraints and Appropriate Norms in Density Functional Theory. (2020) (2)
- PARTITION OF INTEGRAL EQUATIONS FOR EXCHANGE AND CORRELATION POTENTIALS (1997) (2)
- Can the Hartree-Fock kinetic energy exceed the exact kinetic energy? (2022) (2)
- On Time-Independent Density-Functional Theories for Excited States (1999) (2)
- Density- and spin-density-functional theories through spin-free wave functions (2019) (1)
- Erratum: Energy differences from electrostatic potentials at nuclei [J. Chem. Phys. 87, 5044 (1987)] (1988) (1)
- Properties of the exact universal density and one-matrix functionals (2009) (1)
- The physically meaningful solution of the quadratic equation (1979) (0)
- Correlation Energy in a High-Density Limit from Adiabatic Connection Perturbation Theory (1998) (0)
- Generalized density-functional theory: Conquering the <Emphasis Type="Italic">N </Emphasis>-representability problem with exact functionals for the electron pair density and the second-order reduced density matrix (2007) (0)
- Thoughts upon the approaching thirtieth anniversary of two seminal coordinate scaling papers in density functional theory (2014) (0)
- THEOREMS FOR EXACT LOCAL EXCHANGE POTENTIAL (1991) (0)
- On the Constrained Search-Coordinate Scaling Formulations in DFT (2020) (0)
- On the best partitioning of the density functional energy (2018) (0)
- On variational principles in density and density matrix functional theories (2010) (0)
- Generalized Variational Theorem in Quantum Mechanics (2015) (0)
- Basic time-independent density-functional theorems for ground states and excited states (2001) (0)
- Relation between exchange-only optimized potential and Kohn-Sham methods with finite basis sets; solution of a paradox (2007) (0)
- Romancing the Theorem (2003) (0)
- THE QUANTUM-MECHANICAL HARTREE-FOCK STAIRCASE METHOD FOR MOLECULAR ELECTRONIC ENERGIES (1988) (0)
- Scaling analysis of a physics-guided kinetic energy density expansion (2021) (0)
- An Algorithm for Calculating Isoelectronic Changes in Energies, Densities, and One-Matrices (1987) (0)
- Energy components in spin-density functional theory (2021) (0)
- Pointwise and generalized virial theorems (2009) (0)
- A 98 , 012144 ( 2018 ) Nodal variational principle for excited states (2018) (0)
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