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Quantum optimal control of isomerization dynamics of a one-dimensional reaction-path model dominated by a competing dissociation channel
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10.1063/1.3185565
/content/aip/journal/jcp/131/4/10.1063/1.3185565
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/4/10.1063/1.3185565

Figures

Image of FIG. 1.
FIG. 1.

Potential energy profile along the IRC for ozone isomerization.

Image of FIG. 2.
FIG. 2.

Dipole moment of ozone as a function of the IRC. Plotted are the projected values onto the bisector of the apex angle of the open isomer.

Image of FIG. 3.
FIG. 3.

OCT results with no frequency filtering for (242 fs): (a) optimal electric field [1 a.u. of is ]; (b) expectation value of the molecular Hamiltonian ; (c) expectation value of the position ; (d) probability that the molecule remains in the grid region; (e) the wave function magnitude as a function of time and position ; (f) spectrum of the optimal control field; (g) the temporal change in around the critical moment of the transition.

Image of FIG. 4.
FIG. 4.

OCT results with no frequency filtering for (968 fs): (a) optimal electric field ; (b) expectation value of the molecular Hamiltonian ; (c) expectation value of the position .

Tables

Generic image for table
Table I.

Energies of the calculated vibrational eigenstates for the open and ring isomers (hartree).

Generic image for table
Table II.

Parameters, yields, and fluences for the resultant optimal control fields.

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/content/aip/journal/jcp/131/4/10.1063/1.3185565
2009-07-22
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Quantum optimal control of isomerization dynamics of a one-dimensional reaction-path model dominated by a competing dissociation channel
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/4/10.1063/1.3185565
10.1063/1.3185565
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