TY - JOUR
T1 - Optimal control of classical anharmonic molecules represented with piecewise harmonic potential surfaces
T2 - analytic solution and selective dissociation of triatomic systems
AU - Lissak, Matthew H.
AU - Sensabaugh, Jeffrey D.
AU - Schwieters, Charles D.
AU - Beumee, J. G.B.
AU - Rabitz, Herschel
N1 - Funding Information:
The authors acknowledges upport from the Army ResearchO ffice, the Air and the Office of Naval Research.
Copyright:
Copyright 2014 Elsevier B.V., All rights reserved.
PY - 1993/7/15
Y1 - 1993/7/15
N2 - In this paper we apply optimal control theory to manipulate the dynamics of molecular systems with anharmonic potential surfaces modelled as a series of continuous piecewise harmonic sections within the classical approximation. In analogy to the simple harmonic case, an analytic solution is possible, yet bond dissociation is allowed. This methodology was applied to several model systems. It was found that the molecular objective of selective dissociation was achieved for a model linear triatomic system.
AB - In this paper we apply optimal control theory to manipulate the dynamics of molecular systems with anharmonic potential surfaces modelled as a series of continuous piecewise harmonic sections within the classical approximation. In analogy to the simple harmonic case, an analytic solution is possible, yet bond dissociation is allowed. This methodology was applied to several model systems. It was found that the molecular objective of selective dissociation was achieved for a model linear triatomic system.
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U2 - 10.1016/0301-0104(93)80048-E
DO - 10.1016/0301-0104(93)80048-E
M3 - Article
AN - SCOPUS:38249003119
SN - 0301-0104
VL - 174
SP - 1
EP - 24
JO - Chemical Physics
JF - Chemical Physics
IS - 1
ER -