Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation
, Authors:
WooSeok Jeong, Samuel J. Stoneburner, Daniel King, Ruye Li, Andrew Walker, Roland Lindh, Laura Gagliardi
Version 1 posted 20 December 2019
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