Real-Time TD-DFT with Classical Ion Dynamics: Methodology and Applications

Document Details

Document Type
Pub Defense Publication
Publication Date
Dec 29, 2015
Source ID
10.1021/acs.jctc.5b00969

Entities

People

  • Dmitry Vinichenko
  • Efthimios Kaxiras
  • Grigory Kolesov
  • Oscar Grånäs
  • Robert A Hoyt

Organizations

  • Army Research Office
  • Division of Chemistry
  • Harvard University
  • Office of Basic Energy Sciences
  • Swedish Research Council
  • Uppsala University