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Coupled cluster approach or quadratic configuration interaction? (1989)

Paldus, J. ; Cízek, J. ; Jeziorski, B.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 90 (1989), S. 4356-4362

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: 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.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.456647

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