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Accurate Spin–Orbit Coupling by Relativistic Mixed-Reference Spin-Flip-TDDFT

Journal Article · · Journal of Chemical Theory and Computation
 [1];  [2];  [3];  [4];  [2]
  1. Center for Quantum Dynamics, Pohang University of Science and Technology, Pohang37673, South Korea; OSTI
  2. Department of Chemistry, Kyungpook National University, Daegu41566, South Korea
  3. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California91125, USA
  4. Department of Chemistry, York University, Toronto, ONM3J 1P3, Canada
+ Show Author Affiliations

Not provided.

Research Organization:
Emory Univ., Atlanta, GA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0019374
OSTI ID:
2421187
Journal Information:
Journal of Chemical Theory and Computation, Journal Name: Journal of Chemical Theory and Computation Journal Issue: 3 Vol. 19; ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

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