Coupled cluster approach or quadratic configuration interaction?
- 15 April 1989
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 90 (8), 4356-4362
- https://doi.org/10.1063/1.456647
Abstract
It is shown that a recently proposed quadratic configuration interaction (QCI) method, when limited to single and double substitutions (QCISD), represents a special case of the single reference coupled cluster approach. When applied to higher levels of substitutions (QCISDT) the method ceases to be size extensive. The relationship of QCISD method with existing coupled cluster approaches is shown in detail.Keywords
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