Density-functional theory for excited states

Self-Consistent Equations Including Exchange and Correlation Effects

1965 • 57,451 citations

Inhomogeneous Electron Gas

1964 • 48,242 citations

Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism

1976 • 3,562 citations

Approximate density functional theory as a practical tool in molecular energetics and dynamics

1991 • 2,323 citations

Excitation Energies from Time-Dependent Density-Functional Theory

1996 • 1,559 citations

The exchange-correlation energy of a metallic surface

1975 • 874 citations

Exact Kohn-Sham scheme based on perturbation theory

1994 • 543 citations

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

1993 • 415 citations

Density-functional theory for ensembles of fractionally occupied states. II. Application to the He atom

1988 • 279 citations

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

1995 • 143 citations

Symmetry in density-functional theory

1993 • 134 citations

Excitation energies from density-functional orbital energies

1995 • 83 citations

Rigorous formulation of Slater’s transition-state theory for excited states

1985 • 80 citations

Hardness of molecules and the band gap of solids within the Kohn-Sham formalism: A perturbation-scaling approach

1995 • 78 citations