Direct minimization of the energy functional in LCAO-MO density matrix formalism I. Closed and open shell systems
- 1 January 1975
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 38 (3) , 211-221
- https://doi.org/10.1007/bf01125899
Abstract
No abstract availableKeywords
This publication has 5 references indexed in Scilit:
- The convergence properties of direct methods of energy minimization with respect to linear coefficients in the LCAO-MO-SCF approachTheoretical Chemistry Accounts, 1974
- Optimization of molecular orbitals: Easy parametrizations of little rotations suitable for functional iterationInternational Journal of Quantum Chemistry, 1973
- Direct minimization of the energy functional in LCAO–MO calculationsInternational Journal of Quantum Chemistry, 1973
- Optimization of SCF LCAO wave functionsMolecular Physics, 1970
- Computational experience with quadratically convergent minimisation methodsThe Computer Journal, 1970