Multiconfiguration Pair-Density Functional Theory for Iron Porphyrin with CAS, RAS, and DMRG Active Spaces
- Award ID(s):
- 1764186
- Publication Date:
- NSF-PAR ID:
- 10101272
- Journal Name:
- The Journal of Physical Chemistry A
- Volume:
- 123
- Issue:
- 15
- Page Range or eLocation-ID:
- 3389 to 3394
- ISSN:
- 1089-5639
- Sponsoring Org:
- National Science Foundation
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Accepted Manuscript1.0
- Publisher's Version of Record
- https://doi.org/10.1021/acs.jpca.8b12479
