Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session K46: Excited State II: Method development-quantum embedding and X-ray Spectroscopy
3:00 PM–6:00 PM,
Tuesday, March 15, 2022
Room: McCormick Place W-470A
Sponsoring
Units:
DCOMP DMP
Chair: Sahar Sharifzadeh, Boston University
Abstract: K46.00004 : An Exact Double Counting Scheme for Quantum Defect Embedding Theory*
4:00 PM–4:12 PM
Presenter:
Nan Sheng
(University of Chicago)
Authors:
Nan Sheng
(University of Chicago)
Christian W Vorwerk
(University of Chicago)
Marco Govoni
(Argonne National Laboratory)
Giulia Galli
(University of Chicago)
[1] He Ma, Marco Govoni and Giulia Galli. npj Computational Materials 6, 1, 1-8 (2020)
[2] He Ma, Nan Sheng, Marco Govoni and Giulia Galli. J. Chem. Theory Comput. 2021, 17, 4, 2116–2125 (2020)
[3] Nan Sheng, Christian Vorwerk, Marco Govoni and Giulia Galli. preprint arXiv:2105.04736 (2021)
*This work was supported by the Midwest Integrated Center for Computational Materials (MICCoM) as part of the Computational Materials Science Program funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (DOE-BES).
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