Multiconfiguration Pair-Density Functional Theory for Iron Porphyrin with CAS, RAS, and DMRG Active Spaces

Title
Multiconfiguration Pair-Density Functional Theory for Iron Porphyrin with CAS, RAS, and DMRG Active Spaces
Authors
Keywords
-
Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume -, Issue -, Pages -
Publisher
American Chemical Society (ACS)
Online
2019-02-15
DOI
10.1021/acs.jpca.8b12479

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