TY - JOUR
T1 - Multiconfiguration time-dependent self-consistent field approximation for curve crossing in presence of a bath. A fast fourier transform study
AU - Kotler, Zvi
AU - Nitzan, Abraham
AU - Kosloff, R.
N1 - Funding Information:
This research was supported by the US-Israel Binational Science Foundation and by the Commission for basic research of the Israel Academy of Sciences and Humanities. AN acknowledges a helpful discussion with J.C. Tully and thanks the Department of Chemistry at Northwestern University for their hospitality during the time this research was finalized.
PY - 1988/12/30
Y1 - 1988/12/30
N2 - The applicability of the multiconfiguration time-dependent self-consistent field approximation (MCTDSCF) for the dynamics of curve crossing processes under the influence of "external" degrees of freedom is tested on a simple model. The fast Fourier transform (FFT) algorithm for solving the time-dependent Schrödinger equation is used to solve the exact equations of motion and the corresponding approximate ones. Good agreement is obtained in adiabatic as well as in non-adiabatic situations.
AB - The applicability of the multiconfiguration time-dependent self-consistent field approximation (MCTDSCF) for the dynamics of curve crossing processes under the influence of "external" degrees of freedom is tested on a simple model. The fast Fourier transform (FFT) algorithm for solving the time-dependent Schrödinger equation is used to solve the exact equations of motion and the corresponding approximate ones. Good agreement is obtained in adiabatic as well as in non-adiabatic situations.
UR - http://www.scopus.com/inward/record.url?scp=0000378981&partnerID=8YFLogxK
U2 - 10.1016/0009-2614(88)85247-3
DO - 10.1016/0009-2614(88)85247-3
M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???
AN - SCOPUS:0000378981
VL - 153
SP - 483
EP - 489
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 6
ER -