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Article: Adaptive artificial boundary condition for the two-level Schrödinger equation with conical crossings

TitleAdaptive artificial boundary condition for the two-level Schrödinger equation with conical crossings
Authors
KeywordsUnbounded domain
Artificial boundary condition
Schrödinger equation
Surface hopping method
Conical crossings
Operator splitting method
Issue Date2011
Citation
Journal of Computational Physics, 2011, v. 230, n. 4, p. 1319-1334 How to Cite?
AbstractIn this paper, we present an adaptive approach to design the artificial boundary conditions for the two-level Schrödinger equation with conical crossings on the unbounded domain. We use the windowed Fourier transform to obtain the local wave number information in the vicinity of artificial boundaries, and adopt the operator splitting method to obtain an adaptive local artificial boundary condition. Then reduce the original problem into an initial boundary value problem on the bounded computational domain, which can be solved by the finite difference method. By this numerical method, we observe the surface hopping phenomena of the two-level Schrödinger equation with conical crossings. Several numerical examples are provided to show the accuracy and convergence of the proposed method. © 2010 Elsevier Inc.
Persistent Identifierhttp://hdl.handle.net/10722/219843
ISSN
2015 Impact Factor: 2.556
2015 SCImago Journal Rankings: 2.167

 

DC FieldValueLanguage
dc.contributor.authorHan, Houde-
dc.contributor.authorZhang, Zhiwen-
dc.date.accessioned2015-09-23T02:58:04Z-
dc.date.available2015-09-23T02:58:04Z-
dc.date.issued2011-
dc.identifier.citationJournal of Computational Physics, 2011, v. 230, n. 4, p. 1319-1334-
dc.identifier.issn0021-9991-
dc.identifier.urihttp://hdl.handle.net/10722/219843-
dc.description.abstractIn this paper, we present an adaptive approach to design the artificial boundary conditions for the two-level Schrödinger equation with conical crossings on the unbounded domain. We use the windowed Fourier transform to obtain the local wave number information in the vicinity of artificial boundaries, and adopt the operator splitting method to obtain an adaptive local artificial boundary condition. Then reduce the original problem into an initial boundary value problem on the bounded computational domain, which can be solved by the finite difference method. By this numerical method, we observe the surface hopping phenomena of the two-level Schrödinger equation with conical crossings. Several numerical examples are provided to show the accuracy and convergence of the proposed method. © 2010 Elsevier Inc.-
dc.languageeng-
dc.relation.ispartofJournal of Computational Physics-
dc.subjectUnbounded domain-
dc.subjectArtificial boundary condition-
dc.subjectSchrödinger equation-
dc.subjectSurface hopping method-
dc.subjectConical crossings-
dc.subjectOperator splitting method-
dc.titleAdaptive artificial boundary condition for the two-level Schrödinger equation with conical crossings-
dc.typeArticle-
dc.description.natureLink_to_subscribed_fulltext-
dc.identifier.doi10.1016/j.jcp.2010.11.004-
dc.identifier.scopuseid_2-s2.0-78650564995-
dc.identifier.volume230-
dc.identifier.issue4-
dc.identifier.spage1319-
dc.identifier.epage1334-
dc.identifier.eissn1090-2716-

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