Direct minimisation of the energy functional in some open-shell LCAO calculations on atoms
- 1 October 1970
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 7 (1), 149-152
- https://doi.org/10.1016/0009-2614(70)80271-8
Abstract
No abstract availableThis publication has 6 references indexed in Scilit:
- Multi-configurationSCF calculations on LiHInternational Journal of Quantum Chemistry, 1970
- Ab Initio Computations in Atoms and MoleculesIBM Journal of Research and Development, 1965
- Simple Basis Set for Molecular Wavefunctions Containing First- and Second-Row AtomsThe Journal of Chemical Physics, 1964
- Function minimization by conjugate gradientsThe Computer Journal, 1964
- A Rapidly Convergent Descent Method for MinimizationThe Computer Journal, 1963
- Atomic Screening Constants from SCF FunctionsThe Journal of Chemical Physics, 1963