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