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Published in 2021 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.1c00081
Abstract: The present work is the second part in our three-part series on the comparison of many-particle representations for the selected configuration interaction (CI) method. In this work, we present benchmark calculations based on our selected…
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Keywords:
configuration;
configuration interaction;
benchmark calculations;
particle representations ... See more keywords