Machine Learning-Assisted Selection of Active Spaces for Strongly Correlated Transition Metal Systems
Author:
Affiliation:
1. J. Heyrovsky Institute of Physical Chemistry, v.v.i., Academy of Sciences of the Czech Republic, Dolejskova 3, 18223 Prague 8, Czech Republic
Funder
Basic Energy Sciences
Grantov?? Agentura ??esk?? Republiky
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00235
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