Citation Impact
Citing Papers
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Accelerating QM/MM Free Energy Calculations: Representing the Surroundings by an Updated Mean Charge Distribution
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Broad-Band Parametric Deamplification of Quantum Noise in an Optical Fiber
1986 StandoutNobel
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1998
A Spin Dependent Version of the Langreth-Mehl Exchange-Correlation Functional
1985
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Exact exchange-only potentials and the virial relation as microscopic criteria for generalized gradient approximations
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Interdimensional degeneracies, near degeneracies, and their applications
1986 StandoutNobel
Metal-insulator transitions
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Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities
1983 Standout
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Density-functional approximation for the correlation energy of the inhomogeneous electron gas
1986 Standout
Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
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Efficient pseudopotentials for plane-wave calculations
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A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
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Nonlocal density functionals: Comparison with exact results for finite systems
1986
Challenges for Density Functional Theory
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Comparison shopping for a gradient-corrected density functional
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Coupled cluster theory for high spin, open shell reference wave functions
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Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties
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Study of the density-gradient expansion for the exchange energy
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Conceptual Density Functional Theory
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Beyond the local-density approximation in calculations of ground-state electronic properties
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Toward reliable density functional methods without adjustable parameters: The PBE0 model
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Exchange potentials in density-functional theory
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Semiempirical hybrid density functional with perturbative second-order correlation
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Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients
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Derivation and application of an accurate Kohn-Sham potential with integer discontinuity
1990
Density-Functional Theory for Time-Dependent Systems
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Dissociative attachment and predissociation in ammonia
1986
Exchange representations in Kohn–Sham NMR shielding calculations
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Excited states in density functional theory
1998
Total-energy differences: Sources of error in local-density approximations
1985
Basis-set convergence of correlated calculations on water
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The density functional formalism, its applications and prospects
1989 Standout
Quantum-Mechanical Interpretation of the Exchange-Correlation Potential of Kohn-Sham Density-Functional Theory
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Towards a Kohn-Sham potential via the optimized effective-potential method
1984
Adiabatic time-dependent density functional methods for excited state properties
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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
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Spatial correlation of atomic electrons: He
1978
Density-functional exchange-energy approximation with correct asymptotic behavior
1988 Standout
UV photostimulated desorption of ammonia from Cu(111)
1995 StandoutNobel
Optimized effective potential in finite-basis-set treatment
2001
Hellmann-Feynman, virial, and scaling requisites for the exact universal density functionals. Shape of the correlation potential and diamagnetic susceptibility for atoms
1985
Gradient-corrected exchange potential with the correct asymptotic behavior and the corresponding exchange-energy functional obtained from the virial theorem
1995
Can optimized effective potentials be determined uniquely?
2001
Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities
1998 StandoutNobel
Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation
1986 Standout
Stimulated Brillouin Scattering in Monomode Optical Fiber
1983
Applications of Engel and Vosko’s generalized gradient approximation in solids
1994
Systematic optimization of long-range corrected hybrid density functionals
2008 Standout
Density Functionals with Broad Applicability in Chemistry
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Accurate optimized-potential-model solutions for spherical spin-polarized atoms: Evidence for limitations of the exchange-only local spin-density and generalized-gradient approximations
1993
Density-functional exchange-correlation potentials and orbital eigenvalues for light atoms
1984
New approach for solving the density-functional self-consistent-field problem
1982
Generalized Gradient Approximation Made Simple
1996 Standout
Chemical bond as a test of density-gradient expansions for kinetic and exchange energies
1988
Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon
1995 Standout
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
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Design and control of gas diffusion process in a nanoporous soft crystal
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Exchange and correlation energies in density-functional theory: Bounds from available data
1986
Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional
1999 Standout
Absorption of CO2 and CS2 into the Hofmann-Type Porous Coordination Polymer: Electrostatic versus Dispersion Interactions
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Quantum spin Hall effect in two-dimensional transition metal dichalcogenides
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Beyond the random-phase approximation in nonlocal-density-functional theory
1986
Density functional. Theory and application to atoms and molecules
1998
Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr
1989 Standout
Electron removal energies in Kohn-Sham density-functional theory
1982
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
1996 Standout
Works of K Aashamar being referenced
Properties of single-term atomic states calculated in a variationally optimized-local-central-potential model
1979
Evaluation of relativistic and radiative corrections to the energy of two-electron atomic states
1970
Optimized central potentials for atomic ground-state wavefunctions
1978
A multi-configuration optimised central potential model for atomic-structure calculations. II. Application to magnesium
1981
A multi-configuration optimised central potential method for atomic structure calculations: application to carbon
1979