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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 44, 1981 - Issue 5
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Original Articles

The method of minimized iterations in multi-reference (effective hamiltonian) perturbation theory

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Pages 1035-1042 | Received 09 Jun 1981, Accepted 05 Aug 1981, Published online: 23 Aug 2006
 

Abstract

A method is presented for performing partial summations in multi-reference perturbation theory that is stable in the presence of intruder states. The method is invariant under translation and thus can be used to evaluate the folded terms as well. Several numerical examples are presented which demonstrate the efficiency of the method.

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