Calculation of dispersion interactions with the geminal-based ring Coupled Cluster Doubles method
Keyword(s):
Abstract The performance of the recently developed multi-reference extension of ring coupled cluster doubles is investigated for dispersion energy calculations, applied to the generalized valence bond wave function. The leading-order contribution to the dispersion energy is shown to have the correct asymptotic behaviour. Illustrative calculations on noble gas dimers are presented.
2006 ◽
Vol 125
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pp. 054101
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2010 ◽
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pp. 2930-2938
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2002 ◽
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pp. 9190-9201
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1995 ◽
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1996 ◽
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pp. 217-229
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2008 ◽
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pp. 024107
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