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Title: Controversial electronic structures and energies of Fe2, $${\rm Fe}_2^ +$$ Fe 2+, and $${\rm Fe}_2^ -$$ Fe 2− resolved by RASPT2 calculations

Authors:
 [1] ;  [1] ;  [1] ;  [1]
  1. Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431, USA
Publication Date:
OSTI Identifier:
1224322
Grant/Contract Number:
SC0008666
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 141; Journal Issue: 20; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English