Optimal control of molecular motion for δ-target probability density

Valery Dubov; Herschel Rabitz

doi:10.1016/0009-2614(95)00120-S

Optimal control of molecular motion for δ-target probability density

Valery Dubov, Herschel Rabitz

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

16 Scopus citations

Abstract

A new δ-target approach is presented to solve the problem of steering a molecular system to a desirable geometrical configuration by an electromagnetic field. The δ-target technique is shown to provide good control, and the advantages of the δ-target approach are analyzed. In particular, in the weak field limit the computational difficulties are considerably simplified: the control problem reduces to a task of propagating the δ-target wave function with the Hamiltonian of the molecular system independent of time. This simplification is of principal importance as it permits applications of optimal control theory to chemically interesting larger molecular systems.

Original language	English (US)
Pages (from-to)	309-315
Number of pages	7
Journal	Chemical Physics Letters
Volume	235
Issue number	3-4
DOIs	https://doi.org/10.1016/0009-2614(95)00120-S
State	Published - Mar 24 1995

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(95)00120-S

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abstract = "A new δ-target approach is presented to solve the problem of steering a molecular system to a desirable geometrical configuration by an electromagnetic field. The δ-target technique is shown to provide good control, and the advantages of the δ-target approach are analyzed. In particular, in the weak field limit the computational difficulties are considerably simplified: the control problem reduces to a task of propagating the δ-target wave function with the Hamiltonian of the molecular system independent of time. This simplification is of principal importance as it permits applications of optimal control theory to chemically interesting larger molecular systems.",

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AU - Rabitz, Herschel

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N2 - A new δ-target approach is presented to solve the problem of steering a molecular system to a desirable geometrical configuration by an electromagnetic field. The δ-target technique is shown to provide good control, and the advantages of the δ-target approach are analyzed. In particular, in the weak field limit the computational difficulties are considerably simplified: the control problem reduces to a task of propagating the δ-target wave function with the Hamiltonian of the molecular system independent of time. This simplification is of principal importance as it permits applications of optimal control theory to chemically interesting larger molecular systems.

AB - A new δ-target approach is presented to solve the problem of steering a molecular system to a desirable geometrical configuration by an electromagnetic field. The δ-target technique is shown to provide good control, and the advantages of the δ-target approach are analyzed. In particular, in the weak field limit the computational difficulties are considerably simplified: the control problem reduces to a task of propagating the δ-target wave function with the Hamiltonian of the molecular system independent of time. This simplification is of principal importance as it permits applications of optimal control theory to chemically interesting larger molecular systems.

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 3-4

ER -

Optimal control of molecular motion for δ-target probability density

Abstract

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