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Title: The DQ and DQΦ electronic structure diabatization methods: Validation for general applications

Authors:
ORCiD logo [1] ;  [1] ;  [1] ; ORCiD logo [1]
  1. Department of Chemistry, Chemical Theory Center, and Minnesota Supercomputing Institute, University of Minnesota, 207 Pleasant St. SE, Minneapolis, Minnesota 55455-0431, USA
Publication Date:
Grant/Contract Number:
SC0008666
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 144; Journal Issue: 19; Related Information: CHORUS Timestamp: 2018-01-10 11:40:21; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1253223