Quasi-Restricted Orbital Treatment for the Density Functional Theory Calculations of the Spin–Orbit Term of Zero-Field Splitting Tensors
Author:
Affiliation:
1. Department of Chemistry and Molecular Materials Science, Graduate School of Science, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585, Japan
Funder
Ministry of Education, Culture, Sports, Science, and Technology
Air Force Office of Scientific Research
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b10253
Reference80 articles.
1. Very High Frequency (VHF) ESR/EPR
2. Progress in high-field EPR
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