title: Ab initio design of picosecond infrared laser pulses for controlling vibrational-rotational excitation of CO molecules.
abstract: Optimal control of rovibrational excitations of the CO molecule using picosecond infrared laser pulses is described in the framework of the electric-nuclear Born-Oppenheimer approximation [G. G. Balint-Kurti et al., J. Chem. Phys. 122, 084110 (2005)]. The potential energy surface of the CO molecule in the presence of an electric field is calculated using coupled cluster theory with a large orbital basis set. The quantum dynamics of the process is treated using a full three dimensional treatment of the molecule in the laser field. The detailed mechanisms leading to efficient control of the selected excitation processes are discussed.
authors.affiliation: School of Chemistry, University of Bristol, Bristol BS8 1TS, United Kingdom.
authors.forename: Thomas
authors.initials: T
authors.lastname: Herrmann
authors.forename: Qinghua
authors.initials: Q
authors.lastname: Ren
authors.forename: Gabriel G
authors.initials: GG
authors.lastname: Balint-Kurti
authors.forename: Frederick R
authors.initials: FR
authors.lastname: Manby