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Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation.

Jeong, WooSeok

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation. [electronic resource] - Journal of chemical theory and computation Apr 2020 - 2389-2399 p. digital

Publication Type: Journal Article

ISSN: 1549-9626

Standard No.: 10.1021/acs.jctc.9b01297 doi

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