ACCURATE RESONANCES AND EFFECTIVE ABSORPTION OF FLUX USING SMOOTH EXTERIOR SCALING

Authors
Citation
Ho. Karlsson, ACCURATE RESONANCES AND EFFECTIVE ABSORPTION OF FLUX USING SMOOTH EXTERIOR SCALING, The Journal of chemical physics, 109(21), 1998, pp. 9366-9371
Citations number
21
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
109
Issue
21
Year of publication
1998
Pages
9366 - 9371
Database
ISI
SICI code
0021-9606(1998)109:21<9366:ARAEAO>2.0.ZU;2-5
Abstract
A general coordinate transformation is used to derive smooth exterior scaling (SES). Different complex paths are discussed and it is also sh own how to derive a complex absorbing potential (CAP) from the SES. Ac curate resonance values are computed both for short range and long ran ge potentials. It is shown that the SES absorbs outgoing flux very eff ectively. The approximation of not scaling the potential and its relat ion to CAPs is discussed. It is emphasized that the SES can be impleme nted as easy as CAPs for grid methods. (C) 1998 American Institute of Physics. [S0021-9606(98)01845-5].