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Title: Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states

Authors:
 [1] ;  [2] ;  [3]
  1. Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, New Jersey 08544-5263, USA
  2. Institute for Theoretical Physics, Vienna University of Technology, Wiedner Hauptstrasse 8-10/136, 1040 Vienna, Austria
  3. Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, New Jersey 08544-5263, USA, Program in Applied and Computational Mathematics and Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544-5263, USA
Publication Date:
OSTI Identifier:
1228637
Grant/Contract Number:
SC0002120
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 143; Journal Issue: 10; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English