Dipole Moment Calculations Using Multiconfiguration Pair-Density Functional Theory and Hybrid Multiconfiguration Pair-Density Functional Theory

Document Details

Document Type
Pub Defense Publication
Publication Date
Nov 18, 2021
Source ID
10.1021/acs.jctc.1c00915

Entities

People

  • Aleksandr O Lykhin
  • Donald Truhlar
  • Laura Gagliardi

Organizations

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