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Combined quantum Monte Carlo – effective fragment molecular orbital method: fragmentation across covalent bonds

Published 06/15/2021

Publication Physical Chemistry Chemistry Physics

Authors

F. Zahariev, M. S. Gordon

Publication Date

2021

Name of Publication Source

Physical Chemistry Chemistry Physics

Publisher

Royal Society of Chemistry

Volume

Page Numbers

14308-14314

DOI

10.1039/D0CP06528E

Source Link

https://doi.org/10.1039/D0CP06528E

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Combined quantum Monte Carlo – effective fragment molecular orbital method: fragmentation across covalent bonds