Correlation energies in the spin-density functional formalism

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

Electronegativity: The density functional viewpoint

1978 • 3,066 citations

The calculation of atomic fields

1927 • 2,333 citations

Potential-Energy Curves for the X 1Σg+, b3Σu+, and C 1Πu States of the Hydrogen Molecule

1965 • 1,371 citations

PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane

1973 • 988 citations

An accurate three-dimensional potential energy surface for H3

1978 • 771 citations

Many-Electron Theory of Atoms and Molecules. I. Shells, Electron Pairs vs Many-Electron Correlations

1962 • 523 citations

Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree-Fock density and its application to the hydrides of the second row atoms

1974 • 436 citations

Correlation Energy of an Electron Gas with a Slowly Varying High Density

1968 • 415 citations

Polarization functions for first and second row atoms in Gaussian type MO-SCF calculations

1970 • 377 citations

On the surface energy of a bounded electron gas

1974 • 318 citations

Application of a Self-Consistent Scheme Including Exchange and Correlation Effects to Atoms

1966 • 279 citations

On the calculation of correlation energies in the spin-density functional formalism

1978 • 253 citations

Orbital functional for exchange and correlation: self-interaction correction to the local density approximation

1979 • 169 citations

Study of the electron gas approximation

1974 • 165 citations

New ab initio potential curve and quasibound states of HeH+

1976 • 156 citations

Exchange and correlation in inhomogeneous electron systems

1977 • 141 citations

Correlation Energy for Atomic Systems. II. Isoelectronic Series with 11 to 18 Electrons

1963 • 141 citations

Ab Initio SCF–MO–CI Calculations for H−, H2, and H3+ Using Gaussian Basis Sets

1970 • 131 citations

Dissociation Energies of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">He</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:msup><mml:mrow><mml:mi>X</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:mrow><mml:mrow><mml:msup…

1971 • 111 citations

Accurate ab initio calculations on the singlet-triplet separation in methylene

1978 • 107 citations

Near hartree-fock energy and equilibrium geometry of CH+5

1970 • 95 citations

The spin‐density‐functional formalism for quantum mechanical calculations: Test on diatomic molecules with an efficient numerical method

1976 • 92 citations

A non-local approximation to the exchange energy of the non-homogeneous electron gas

1977 • 88 citations

Potential Curve for the 2Σu+ State of H2—

1963 • 83 citations

Gradient term in the Kohn-Sham exchange-correlation potential

1974 • 55 citations

A steepest-descent method for the calculation of localized orbitals and pseudoorbitals

1978 • 25 citations

Elastic Scattering, Diffusion, and Excitation Transfer of Metastable Helium in Helium

1969 • 20 citations

A study of one-electron functionals for molecular correlation energies

1977 • 15 citations