Electronic density-matrix algorithm for nonadiabatic couplings in molecular dynamics simulations

International Journal of Quantum Chemistry

Volumn 85, Issue 4-5, 2001, Pages 225-238

  Tommasini, M ^a   Chernyak, V ^a   Mukamel, S ^b  

^a POLITECNICO DI MILANO   (Italy)

^b UNIVERSITY OF ROCHESTER   (United States)

Author keywords

CEO; Density matrix; Molecular dynamics; Nonadiabatic couplings; Time dependent Hartree Fock

Indexed keywords

ALGORITHMS; ELECTRONIC DENSITY OF STATES; MATHEMATICAL MODELS; MATRIX ALGEBRA; OSCILLATIONS;

COLLECTIVE ELECTRONIC OSCILLATORS; HARTREE-FOCK EQUATIONS; NON ADIABATIC COUPLINGS;

MOLECULAR DYNAMICS;

EID: 0035890868     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.1528     Document Type: Conference Paper

References (26)

1. Mol Phys