Optimal control of classical molecular dynamics: A perturbation formulation and the existence of multiple solutions

DOI10.1007/BF01169206zbMath0857.92024OpenAlexW2068860839MaRDI QIDQ1817021

Herschel Rabitz, Metin Demiralp

Publication date: 1 December 1996

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/bf01169206

zbMATH Keywords

multiple solutionspolyatomic moleculesmolecular controlmultiplicity problemmolecular dynamical systemsmultiple control field solutionsoptical fields

Mathematics Subject Classification ID

Chemistry (92E99) Differential games and control (49N70) Molecular physics (81V55) Pursuit and evasion games (49N75)

Related Items

Upper and lower bounds on the control field and the quality of achieved optimally controlled quantum molecular motion, A fluctuation removal based univariate integration over prescribed nodes: certain important aspects of one node fluctuation free integration, Numerical solution of ordinary differential equations by fluctuationlessness theorem, Determination of the external field amplitude and deviation parameter through expectation value based quantum optimal control of multiharmonic oscillators under linear control agents

Cites Work

• Optimal control of bond selectivity in unimolecular reactions
• Application of optimal control theory for selective vibrational excitation in molecules modeled as harmonic physical systems
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