How to calculate linear absorption spectra with lifetime broadening using fewest switches surface hopping trajectories: A simple generalization of ground-state Kubo theory

Journal of Chemical Physics

Volumn 141, Issue 1, 2014, Pages

  Petit, Andrew S ^a   Subotnik, Joseph E ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTROMAGNETIC WAVE ABSORPTION; MOLECULAR PHYSICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

AB INITIO POTENTIAL ENERGY SURFACE; CLASSICAL TRAJECTORIES; DIPOLE-DIPOLE CORRELATION; ELECTRONIC RELAXATION; LIFETIME BROADENING; LINEAR ABSORPTION SPECTRA; NON-ADIABATIC DYNAMICS; QUANTUM DYNAMICS CALCULATIONS;

GROUND STATE;

EID: 84903976334     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4884945     Document Type: Article

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