First Principles Nonadiabatic Excited-State Molecular Dynamics in NWChem

Document Details

Document Type
Pub Defense Publication
Publication Date
Aug 18, 2020
Source ID
10.1021/acs.jctc.0c00295

Entities

People

  • Christopher Cramer
  • Huajing Song
  • Niranjan Govind
  • Sean A Fischer
  • Sergei Tretiak
  • Shaul Mukamel
  • Yu Zhang

Organizations

  • Los Alamos National Laboratory
  • Office of Basic Energy Sciences
  • Office of Science
  • Pacific Northwest National Laboratory
  • United States Naval Research Laboratory
  • University of California, Irvine
  • University of Minnesota