A comparison of different methods in determining energies and geometries of open-shell systems
- 1 January 1974
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 36 (2) , 125-134
- https://doi.org/10.1007/bf00554344
Abstract
No abstract availableKeywords
This publication has 9 references indexed in Scilit:
- A remark on the comparison between the roothaan open shell and half-electron methodTheoretical Chemistry Accounts, 1972
- Triplet states of aromatic hydrocarbonsJournal of the Chemical Society D: Chemical Communications, 1970
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969
- Ground states of conjugated molecules. IX. Hydrocarbon radicals and radical ionsJournal of the American Chemical Society, 1968
- Über eine Näherung zur Lösung des “Self‐consistent‐field” Verfahrens für Systeme mit ungepaarten Elektronen I. Die MethodeInternational Journal of Quantum Chemistry, 1968
- Self-Consistent Field Theory for Open Shells of Electronic SystemsReviews of Modern Physics, 1960
- The Electronic Spectra of Aromatic Molecules IV: Excited States of Odd Alternant Hydrocarbon Radicals and IonsProceedings of the Physical Society. Section A, 1955
- Self-Consistent Orbitals for RadicalsThe Journal of Chemical Physics, 1954
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951