Quantum optimal control of ozone isomerization

Maxim Artamonov; Tak San Ho; Herschel Rabitz

doi:10.1016/j.chemphys.2004.06.061

Quantum optimal control of ozone isomerization

Maxim Artamonov, Tak San Ho, Herschel Rabitz

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29 Scopus citations

Abstract

We present a feasibility study of ozone isomerization based on a recent ab initio potential energy surface and a model Hamiltonian constructed by holding the bond lengths constant and using the valence angle as the isomerization coordinate. Optimal control theory is used to find an electric field that drives isomerization with a yield of 95% to the symmetric metastable triangular form of ozone. A frequency filter is applied as an additional spectral constraint limiting the field bandwidth. A post-facto analysis is performed showing a degree of inherent robustness of the isomerization yield to field noise.

Original language	English (US)
Pages (from-to)	213-222
Number of pages	10
Journal	Chemical Physics
Volume	305
Issue number	1-3
DOIs	https://doi.org/10.1016/j.chemphys.2004.06.061
State	Published - Oct 25 2004

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/j.chemphys.2004.06.061

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title = "Quantum optimal control of ozone isomerization",

abstract = "We present a feasibility study of ozone isomerization based on a recent ab initio potential energy surface and a model Hamiltonian constructed by holding the bond lengths constant and using the valence angle as the isomerization coordinate. Optimal control theory is used to find an electric field that drives isomerization with a yield of 95% to the symmetric metastable triangular form of ozone. A frequency filter is applied as an additional spectral constraint limiting the field bandwidth. A post-facto analysis is performed showing a degree of inherent robustness of the isomerization yield to field noise.",

author = "Maxim Artamonov and Ho, {Tak San} and Herschel Rabitz",

note = "Funding Information: The authors thank Reinhard Schinke for use of his potential energy surface program. The authors kindly acknowledge Gabriel Balint-Kurti for his comments upon reading the manuscript. M.A. is grateful to Ignacio Sola for fruitful discussions. The work was supported by the Department of Energy. ",

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AU - Artamonov, Maxim

AU - Ho, Tak San

AU - Rabitz, Herschel

N1 - Funding Information: The authors thank Reinhard Schinke for use of his potential energy surface program. The authors kindly acknowledge Gabriel Balint-Kurti for his comments upon reading the manuscript. M.A. is grateful to Ignacio Sola for fruitful discussions. The work was supported by the Department of Energy.

PY - 2004/10/25

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N2 - We present a feasibility study of ozone isomerization based on a recent ab initio potential energy surface and a model Hamiltonian constructed by holding the bond lengths constant and using the valence angle as the isomerization coordinate. Optimal control theory is used to find an electric field that drives isomerization with a yield of 95% to the symmetric metastable triangular form of ozone. A frequency filter is applied as an additional spectral constraint limiting the field bandwidth. A post-facto analysis is performed showing a degree of inherent robustness of the isomerization yield to field noise.

AB - We present a feasibility study of ozone isomerization based on a recent ab initio potential energy surface and a model Hamiltonian constructed by holding the bond lengths constant and using the valence angle as the isomerization coordinate. Optimal control theory is used to find an electric field that drives isomerization with a yield of 95% to the symmetric metastable triangular form of ozone. A frequency filter is applied as an additional spectral constraint limiting the field bandwidth. A post-facto analysis is performed showing a degree of inherent robustness of the isomerization yield to field noise.

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JO - Chemical Physics

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Quantum optimal control of ozone isomerization

Abstract

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