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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];  [1];  [1];  [1]
  1. Department of Chemistry, Chemical Theory Center, and The Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, United States
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Not provided.

Research Organization:
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, Vol. 10, Issue 18; 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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