Density-matrix-spectroscopic algorithm for excited-state adiabatic surfaces and molecular dynamics of a protonated Schiff base

Journal of Chemical Physics

Volumn 110, Issue 17, 1999, Pages 8328-8337

  Tsiper, E V ^a  

^a UNIVERSITY OF ROCHESTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC PROPAGATION; ELECTRONIC MODE; ELECTRONIC OSCILLATORS; IN-PLANE MOTION; MOLECULAR DYNAMICS ALGORITHMS; PROTONATED SCHIFF BASE; SEMI-EMPIRICAL; SINGLE ELECTRON;

ALGORITHMS; COMPUTER SIMULATION; EXCITED STATES; FUNCTIONAL GROUPS; GROUND STATE; OSCILLATORS (ELECTRONIC); PROTONATION;

MOLECULAR DYNAMICS;

EID: 0001418841     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478743     Document Type: Article

References (1)

1. J. Michl and V. Bonacic-Koutecky, Electronic Aspects of Organic Photochemistry (Willey, New York, 1990);