Semiclassical guided optimal control of molecular dynamics
Abstract
An efficient semiclassical optimal control theory applicable to multidimensional systems is formulated for controlling wave packet dynamics on a single adiabatic potential energy surface. The approach combines advantages of different formulations of optimal control theory: quantum and classical on one hand and global and local on the other. Numerical applications to the control of HCN-CNH isomerization demonstrate that this theory can provide an efficient tool to manipulate molecular dynamics of many degrees of freedom by laser pulses.
- Authors:
-
- Department of Theoretical Studies, Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan)
- Publication Date:
- OSTI Identifier:
- 20718666
- Resource Type:
- Journal Article
- Journal Name:
- Physical Review. A
- Additional Journal Information:
- Journal Volume: 72; Journal Issue: 4; Other Information: DOI: 10.1103/PhysRevA.72.041401; (c) 2005 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1050-2947
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 74 ATOMIC AND MOLECULAR PHYSICS; DEGREES OF FREEDOM; HYDROCYANIC ACID; ISOMERIZATION; LASER RADIATION; MOLECULAR DYNAMICS METHOD; OPTIMAL CONTROL; ORGANIC COMPOUNDS; PHOTON-MOLECULE COLLISIONS; POTENTIAL ENERGY; PULSES; SEMICLASSICAL APPROXIMATION; SURFACES; WAVE PACKETS
Citation Formats
Kondorskiy, A, Mil'nikov, G, and Nakamura, H. Semiclassical guided optimal control of molecular dynamics. United States: N. p., 2005.
Web. doi:10.1103/PhysRevA.72.041401.
Kondorskiy, A, Mil'nikov, G, & Nakamura, H. Semiclassical guided optimal control of molecular dynamics. United States. https://doi.org/10.1103/PhysRevA.72.041401
Kondorskiy, A, Mil'nikov, G, and Nakamura, H. 2005.
"Semiclassical guided optimal control of molecular dynamics". United States. https://doi.org/10.1103/PhysRevA.72.041401.
@article{osti_20718666,
title = {Semiclassical guided optimal control of molecular dynamics},
author = {Kondorskiy, A and Mil'nikov, G and Nakamura, H},
abstractNote = {An efficient semiclassical optimal control theory applicable to multidimensional systems is formulated for controlling wave packet dynamics on a single adiabatic potential energy surface. The approach combines advantages of different formulations of optimal control theory: quantum and classical on one hand and global and local on the other. Numerical applications to the control of HCN-CNH isomerization demonstrate that this theory can provide an efficient tool to manipulate molecular dynamics of many degrees of freedom by laser pulses.},
doi = {10.1103/PhysRevA.72.041401},
url = {https://www.osti.gov/biblio/20718666},
journal = {Physical Review. A},
issn = {1050-2947},
number = 4,
volume = 72,
place = {United States},
year = {Sat Oct 15 00:00:00 EDT 2005},
month = {Sat Oct 15 00:00:00 EDT 2005}
}
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