Size consistency in multi-reference double excitation CI calculations
- 1 September 1981
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 44 (1) , 173-185
- https://doi.org/10.1080/00268978100102361
Abstract
The problem of size consistency in a multi-reference CI calculation is discussed using the method of quasi-degenerate many-body perturbation theory suggested by Brandow [1, 2]. The multi-reference form of linear coupled pair many-electron theory (CPMET), the coupled electron pair approximation (CEPA) and the Davidson correction are derived. It is shown that these methods are easily implemented in quantum chemical calculations.Keywords
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