The convergence properties of direct energy minimisation with respect to linear coefficients in the MC-LCAO-MO-SCF approach
- 1 January 1975
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 39 (1), 93-102
- https://doi.org/10.1007/bf00547789
Abstract
No abstract availableKeywords
This publication has 6 references indexed in Scilit:
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- Ab initio molecular orbital calculations of the ground and excited states of the permanganate and chromate ionsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1970
- Optimization of SCF LCAO wave functionsMolecular Physics, 1970
- Maximization by Quadratic Hill-ClimbingEconometrica, 1966