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Time-dependent treatment of scattering - Integral equation approaches using the time-dependent amplitude densityThe time-dependent form of the Lippmann-Schwinger integral equation is used as the basis of several new wave packet propagation schemes. These can be formulated in terms of either the time-dependent wave function or a time-dependent amplitude density. The latter is nonzero only in the region of configuratiaon space for which the potential is nonzero, thereby in principle obviating the necessity of large grids or the use of complex absorbing potentials when resonances cause long collision times (leading, consequently, to long propagation times). Transition amplitudes are obtained in terms of Fourier transforms of the amplitude density from the time to the energy domain. The approach is illustrated by an application to a standard potential scattering model problem where, as in previous studies, the action of the kinetic energy operator is evaluated by fast Fourier transform (FFT) techniques.
Document ID
19910070277
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Hoffman, David K.
(Iowa State University of Science and Technology; DOE, Ames Laboratory, IA, United States)
Sharafeddin, Omar
(Iowa State Univ. of Science and Technology Ames, IA, United States)
Judson, Richard S.
(Iowa State Univ. of Science and Technology Ames, IA, United States)
Kouri, Donald J.
(Houston, University TX, United States)
Date Acquired
August 14, 2013
Publication Date
April 1, 1990
Publication Information
Publication: Journal of Chemical Physics
Volume: 92
ISSN: 0021-9606
Subject Category
Atomic And Molecular Physics
Accession Number
91A54900
Funding Number(s)
CONTRACT_GRANT: NAG2-503
CONTRACT_GRANT: W-7405-ENG-82
Distribution Limits
Public
Copyright
Other

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