A Chebychev propagator for inhomogeneous Schrödinger equations

Mamadou Ndong; Hillel Tal-Ezer; Ronnie Kosloff; Christiane P. Koch

doi:10.1063/1.3098940

A Chebychev propagator for inhomogeneous Schrödinger equations

Mamadou Ndong^*, Hillel Tal-Ezer, Ronnie Kosloff, Christiane P. Koch

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

27 Scopus citations

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.

Original language	English
Article number	124108
Journal	Journal of Chemical Physics
Volume	130
Issue number	12
DOIs	https://doi.org/10.1063/1.3098940
State	Published - 2009

Access to Document

10.1063/1.3098940

Cite this

@article{c03c4c5af67742bb97919f28b3758367,

title = "A Chebychev propagator for inhomogeneous Schr{\"o}dinger equations",

abstract = "A propagation scheme for time-dependent inhomogeneous Schr{\"o}dinger 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.",

author = "Mamadou Ndong and Hillel Tal-Ezer and Ronnie Kosloff and Koch, {Christiane P.}",

year = "2009",

doi = "10.1063/1.3098940",

language = "אנגלית",

volume = "130",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "12",

}

TY - JOUR

T1 - A Chebychev propagator for inhomogeneous Schrödinger equations

AU - Ndong, Mamadou

AU - Tal-Ezer, Hillel

AU - Kosloff, Ronnie

AU - Koch, Christiane P.

PY - 2009

Y1 - 2009

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=63649158611&partnerID=8YFLogxK

U2 - 10.1063/1.3098940

DO - 10.1063/1.3098940

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:63649158611

SN - 0021-9606

VL - 130

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 12

M1 - 124108

ER -

A Chebychev propagator for inhomogeneous Schrödinger equations

Abstract

Access to Document

Other files and links

Fingerprint

Cite this