Bulletin of the American Physical Society
APS March Meeting 2019
Volume 64, Number 2
Monday–Friday, March 4–8, 2019; Boston, Massachusetts
Session G70: Poster Session I (2:00pm-5:00pm)
2:00 PM,
Tuesday, March 5, 2019
BCEC
Room: Exhibit Hall
Abstract: G70.00321 : Self-Interaction Error free Magnetic Exchange Couplings: LSDA vs PBE vs SCAN.*
Presenter:
Rajendra Joshi
(Department of Physics and Science of Advanced Materials, Central Michigan University, Mt. Pleasant, MI, 48858)
Authors:
Rajendra Joshi
(Department of Physics and Science of Advanced Materials, Central Michigan University, Mt. Pleasant, MI, 48858)
Koblar Alan Jackson
(Department of Physics and Science of Advanced Materials, Central Michigan University, Mt. Pleasant, MI, 48858)
Juan Ernesto Peralta
(Department of Physics and Science of Advanced Materials, Central Michigan University, Mt. Pleasant, MI, 48858)
more accurate quantum chemistry calculations and experiments. In addition, we discuss the effect of spin projection on magnetic exchange couplings.
*We acknowledge the financial support from U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under award #DE-SC0001330.
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