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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] ; ORCiD logo [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:
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
OSTI Identifier:
1228637

Yu, Kuang, Libisch, Florian, and Carter, Emily A. Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states. United States: N. p., Web. doi:10.1063/1.4922260.
Yu, Kuang, Libisch, Florian, & Carter, Emily A. Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states. United States. doi:10.1063/1.4922260.
Yu, Kuang, Libisch, Florian, and Carter, Emily A. 2015. "Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states". United States. doi:10.1063/1.4922260.
@article{osti_1228637,
title = {Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states},
author = {Yu, Kuang and Libisch, Florian and Carter, Emily A.},
abstractNote = {},
doi = {10.1063/1.4922260},
journal = {The Journal of Chemical Physics},
number = 10,
volume = 143,
place = {United States},
year = {2015},
month = {9}
}