Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals

Published 2017 View Full Article

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Title
Automated Construction of Molecular Active Spaces from Atomic Valence Orbitals
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 13, Issue 9, Pages 4063-4078
Publisher
American Chemical Society (ACS)
Online
2017-07-22
DOI
10.1021/acs.jctc.7b00128

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