Concepedia

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

Hermann Stoll, Chrysso M. E. Pavlidou, Heinzwerner Preuß

Theoretica Chimica Acta · 1978 · 262 citations · 10 references

DOI

Concepts

References

10

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

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

O. Gunnarsson, Bengt I. Lundqvist · Physical review. B, Solid state · 1976 · 3.7K citations

, , +17

PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides

Wilfried Meyer, P. Rosmus · The Journal of Chemical Physics · 1975 · 533 citations

, , +17

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

B. Roos, Per E. M. Siegbahn · Theoretical Chemistry Accounts · 1970 · 377 citations

, , +11

Correlation Energy in Atomic Systems. V. Degeneracy Effects for the Second-Row Atoms

A. Veillard, E. Clementi · The Journal of Chemical Physics · 1968 · 296 citations

, , +15