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A Chebychev propagator for inhomogeneous Schrödinger equations.

Authors :
Ndong, Mamadou
Tal-Ezer, Hillel
Kosloff, Ronnie
Koch, Christiane P.
Source :
Journal of Chemical Physics. 3/28/2009, Vol. 130 Issue 12, p124108. 12p. 1 Diagram, 4 Charts, 8 Graphs.
Publication Year :
2009

Abstract

A propagation scheme for time-dependent inhomogeneous Schrödinger equations is presented. Such equations occur in time dependent optimal control theory and in reactive scattering. A formal solution based on a polynomial expansion of the inhomogeneous term is derived. It is subjected to an approximation in terms of Chebychev polynomials. Different variants for the inhomogeneous propagator are demonstrated and applied to two examples from optimal control theory. Convergence behavior and numerical efficiency are analyzed. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
130
Issue :
12
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
37258969
Full Text :
https://doi.org/10.1063/1.3098940