Spin‐unrestricted character of Kohn‐Sham orbitals for open‐shell systems
- 15 November 1995
- journal article
- theoretical and-computational-development
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 56 (4) , 303-305
- https://doi.org/10.1002/qua.560560414
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- A standard grid for density functional calculationsChemical Physics Letters, 1993
- The spin polarization model for hyperfine coupling constantsTheoretical Chemistry Accounts, 1992
- Ab initio quadratic configuration interaction calculations of isotropic hyperfine coupling constantsThe Journal of Physical Chemistry, 1991
- Spin density of radicals by finite field many-body methodsThe Journal of Chemical Physics, 1985
- Theoretical study of the properties of methyl radicalThe Journal of Chemical Physics, 1983
- Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalismPhysical Review B, 1976
- Inhomogeneous Electron GasPhysical Review B, 1973
- A local exchange-correlation potential for the spin polarized case. iJournal of Physics C: Solid State Physics, 1972
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Self-Consistent Orbitals for RadicalsThe Journal of Chemical Physics, 1954