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Title: eQE: An open-source density functional embedding theory code for the condensed phase: GENOVA et al.

Authors:
 [1] ;  [2] ;  [1] ;  [3] ;  [4] ; ORCiD logo [1]
  1. Department of Chemistry, Rutgers University, Newark New Jersey 07102
  2. Department of Chemistry, Rutgers University, Newark New Jersey 07102, Istituto di Scienze e Tecnologie Molecolari CNR c/o Dipartimento di Chimica, Università degli studi di Milano, via Golgi 19, 20133, Milano Italy
  3. Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), Institute of Computational Studies, École Polytechnique Fédérale de Lausanne, Station 12 Lausanne CH-1015 Switzerland
  4. Department of Chemistry and Chemical Biology, Cornell University, Ithaca New York 14853
Publication Date:
Grant/Contract Number:
AC02-06CH11357
Type:
Publisher's Accepted Manuscript
Journal Name:
International Journal of Quantum Chemistry
Additional Journal Information:
Journal Volume: 117; Journal Issue: 16; Related Information: CHORUS Timestamp: 2017-10-20 16:29:53; Journal ID: ISSN 0020-7608
Publisher:
Wiley Blackwell (John Wiley & Sons)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1401323