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Accurate resonances and effective absorption of flux using smooth exterior scaling
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Physical and Analytical Chemistry, Quantum Chemistry.
1998 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 109, no 21, 9366-9371 p.Article in journal (Refereed) Published
Abstract [en]

A general coordinate transformation is used to derive smooth exterior scaling (SES). Different complex paths are discussed and it is also shown how to derive a complex absorbing potential (CAP) from the SES. Accurate resonance values are computed both for short range and long range potentials. It is shown that the SES absorbs outgoing flux very effectively. The approximation of not scaling the potential and its relation to CAPs is discussed. It is emphasized that the SES can be implemented as easy as CAPs for grid methods.

Place, publisher, year, edition, pages
1998. Vol. 109, no 21, 9366-9371 p.
Keyword [en]
National Category
Natural Sciences
URN: urn:nbn:se:uu:diva-41280DOI: 10.1063/1.477598ISI: 000077147900018OAI: oai:DiVA.org:uu-41280DiVA: diva2:69181
Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-25Bibliographically approved

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Karlsson, Hans O
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