Zero-Field Splitting Calculations by Multiconfiguration Pair-Density Functional Theory

Document Details

Document Type
Pub Defense Publication
Publication Date
Mar 23, 2022
Source ID
10.1021/acs.jctc.1c01115

Entities

People

  • Chen Zhou
  • Dihua Wu
  • Donald Truhlar
  • Jie J. Bao
  • Laura Gagliardi

Organizations

  • Air Force Office of Scientific Research
  • Argonne National Laboratory
  • University of Chicago
  • University of Minnesota