Nature of the 11Bu and 21Ag Excited States of Butadiene and the Goldilocks Principle of Basis Set Diffuseness

Document Details

Document Type
Pub Defense Publication
Publication Date
Jul 15, 2019
Source ID
10.1021/acs.jctc.9b00549

Entities

People

  • Donald Truhlar
  • Laura Gagliardi
  • Sijia S. Dong

Organizations

  • Air Force Office of Scientific Research
  • University of Minnesota Supercomputing Institute