A split-domain algorithm for time-dependent multi-electron wave functions

Citation
R. Grobe et al., A split-domain algorithm for time-dependent multi-electron wave functions, COMP PHYS C, 117(3), 1999, pp. 200-210
Citations number
39
Categorie Soggetti
Physics
Journal title
COMPUTER PHYSICS COMMUNICATIONS
ISSN journal
00104655 → ACNP
Volume
117
Issue
3
Year of publication
1999
Pages
200 - 210
Database
ISI
SICI code
0010-4655(199903)117:3<200:ASAFTM>2.0.ZU;2-7
Abstract
A computational technique for studying the time-development of two-electron systems is presented, with particular attention given to photoionization o r photodetachment of two-electron, one-dimensional model atoms. The techniq ue is based on a partitioning of the spatial wave function into inner and o uter parts. The electron-electron interaction is fully accounted for in the inner part, but neglected in the outer part, where the electrons are typic ally far apart. The time development of the inner part is calculated using a full numerical grid, but the time-development of the outer part is accomp lished using canonical basis states. The use of canonical basis states allo w the study of atom-laser dynamics for much longer laser pulse durations an d lower laser frequencies than-would be possible using standard grid techni ques. (C) 1999 Published by Elsevier Science B.V.