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Spin-State Ordering in Metal-Based Compounds Using the Localized Active Space Self-Consistent Field Method

Journal Article · · Journal of Physical Chemistry Letters
 [1];  [2];  [2];  [2]
  1. Department of Chemistry, Chemical Theory Center, and The Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, United States; DOE/OSTI
  2. Department of Chemistry, Chemical Theory Center, and The Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, United States
+ Show Author Affiliations
Not provided.
Research Organization:
UNIVERSITY OF MINNESOTA; Univ. of Minnesota, Minneapolis, MN (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0008688;
OSTI ID:
1611130
Journal Information:
Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 18 Vol. 10; ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

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Periodic Electronic Structure Calculations With Density Matrix Embedding Theory preprint January 2019

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