Calculation of dispersion interactions with the geminal-based ring Coupled Cluster Doubles method
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DOI: 10.1007/s00214-020-02657-1
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… read more here.
Keywords: calculation dispersion; coupled cluster; dispersion; ring coupled ... See more keywords