On convergence guarantees for the multi-configuration self-consistent field theory
- 1 September 1973
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 26 (3) , 595-603
- https://doi.org/10.1080/00268977300101921
Abstract
A discussion of the MC-SCF theory of Veillard and Clementi is given and the conditions for the guaranteed convergence of the energy formulated. A brief description of the computer programme which has been written is included, together with a simple numerical application of the method.Keywords
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