Spin‐Extended Hartree–Fock calculation for hydrocarbon π‐radicals
- 1 September 1976
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 10 (5), 761-769
- https://doi.org/10.1002/qua.560100507
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- The problem of spin contamination in UHF calculations for S = 1/2Collection of Czechoslovak Chemical Communications, 1976
- Approximate spin projection of three-component UHF wavefunctions: The states of the pentachlorocyclopentadienyl cation and the croconate dianion, C5O52−The Journal of Chemical Physics, 1974
- Matrix formulation of the generalized Hartree‐Fock methodsInternational Journal of Quantum Chemistry, 1974
- Spin projected extended Hartree‐Fock equationsInternational Journal of Quantum Chemistry, 1973
- Some developments in the spin‐extended Hartree‐Fock methodInternational Journal of Quantum Chemistry, 1973
- Spin-Extended PPP SCF Spin Densities in Some Hydrocarbon RadicalsThe Journal of Chemical Physics, 1968
- Improved Quantum Theory of Many-Electron Systems. III. The GF MethodThe Journal of Chemical Physics, 1968
- On the calculation of spin densitiesMolecular Physics, 1966
- Single determinant wave functionsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1961
- Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation EffectsPhysical Review B, 1955