Quantum control of isomerization by robust navigation in the energy spectrum

Journal Article · Mon Dec 07 00:00:00 EST 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4936424· OSTI ID:22493294

Murgida, G. E., E-mail: [e-mail] ^[1]; Arranz, F. J., E-mail: [e-mail] ^[2]; Borondo, F., E-mail: [e-mail] ^[3]; Instituto de Ciencias Matemáticas ^[4]

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1. Centro Atómico Constituyentes, GIyA, CNEA, San Martín, and Consejo Nacional de Investigaciones Científicas y Técnicas, C1033AAJ Buenos Aires (Argentina)
2. Grupo de Sistemas Complejos, Universidad Politécnica de Madrid, 28040 Madrid (Spain)
3. Departamento de Química, Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain)
4. (ICMAT), Cantoblanco, 28049 Madrid (Spain)

In this paper, we present a detailed study on the application of the quantum control technique of navigation in the energy spectrum to chemical isomerization processes, namely, CN–Li⇆ Li–CN. This technique is based on the controlled time variation of a Hamiltonian parameter, an external uniform electric field in our case. The main result of our work establishes that the navigation involved in the method is robust, in the sense that quite sizable deviations from a pre-established control parameter time profile can be introduced and still get good final results. This is specially relevant thinking of a experimental implementation of the method.

• OSTI ID: 22493294
• Journal Information: Journal of Chemical Physics, Vol. 143, Issue 21; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CARBON NITRIDES
CYANIDES
ELECTRIC FIELDS
ENERGY SPECTRA
HAMILTONIANS
ISOMERIZATION
LITHIUM
LITHIUM COMPOUNDS
VARIATIONS