Optimal control of bond selectivity in unimolecular reactions

DOI10.1016/0010-4655(91)90239-HzbMath0850.65322OpenAlexW2034905334MaRDI QIDQ1911660

Herschel Rabitz, Shenghua Shi

Publication date: 17 July 1996

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0010-4655(91)90239-h

zbMATH Keywords

optimal controltime-dependent Hamiltonianfast Fourier transform algorithmMorse oscillatorsbond-selective unimolecular reactionkinetic coupling

Mathematics Subject Classification ID

PDEs in connection with quantum mechanics (35Q40) Applications to the sciences (65Z05)

Related Items

Upper and lower bounds on the control field and the quality of achieved optimally controlled quantum molecular motion, NIC-CAGE: an open-source software package for predicting optimal control fields in photo-excited chemical systems, Control of quantum phenomena: past, present and future, Control of classical regime molecular objectives -- applications of tracking and variations on the theme, Optimal control of classical molecular dynamics: A perturbation formulation and the existence of multiple solutions

Cites Work

• Solution of the Schrödinger equation by a spectral method
• Unnamed Item
• Unnamed Item