Articles with "electron pair" as a keyword



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Coupled Electron Pair-Type Approximations for Tensor Product State Wave Functions.

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Published in 2022 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.2c00589

Abstract: Size extensivity, defined as the correct scaling of energy with system size, is a desirable property for any many-body method. Traditional configuration interaction (CI) methods are not size extensive, hence the error increases as the… read more here.

Keywords: electron pair; coupled electron; tensor product; size ... See more keywords