TY - JOUR
T1 - Variational wave packet method for dissipative photodesorption problems
AU - Pesce, Lorenzo Luigi
AU - Gerdts, Thorsten
AU - Manthe, Uwe
AU - Saalfrank, Peter
N1 - Funding Information:
We are grateful to R. Kosloff (Jerusalem) for fruitful discussions and to G. Böndgen (Berlin) for performing the benchmark calculations in the two-mode model. Generous support by the Deutsche Forschungsgemeinschaft (DFG) within the “Schwerpunktprogramm: Zeitabhängige Phänomene und Methoden in Quantensystemen der Physik und Chemie” is gratefully acknowledged.
PY - 1998/5/22
Y1 - 1998/5/22
N2 - A recently introduced variational wave packet method to integrate the time-dependent Liouville-von Neumann equation for open quantum systems is adapted here for one- and two-dimensional models describing the photodesorption of a neutral molecule from a dissipative metal surface. By comparison to benchmark results, we find that any quantities of interest can be converged with any desired accuracy within the variational wave packet scheme. The method is general, shows uniform convergence properties and is computational efficient.
AB - A recently introduced variational wave packet method to integrate the time-dependent Liouville-von Neumann equation for open quantum systems is adapted here for one- and two-dimensional models describing the photodesorption of a neutral molecule from a dissipative metal surface. By comparison to benchmark results, we find that any quantities of interest can be converged with any desired accuracy within the variational wave packet scheme. The method is general, shows uniform convergence properties and is computational efficient.
UR - http://www.scopus.com/inward/record.url?scp=0032557280&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0032557280&partnerID=8YFLogxK
U2 - 10.1016/S0009-2614(98)00313-3
DO - 10.1016/S0009-2614(98)00313-3
M3 - Article
AN - SCOPUS:0032557280
SN - 0009-2614
VL - 288
SP - 383
EP - 390
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 2-4
ER -