title: Numerical bound state electron dynamics of carbon dioxide in the strong-field regime.
abstract: Time-dependent Hartree-Fock simulations for a linear triatomic molecule (CO(2)) interacting with a short IR (1.63 eV) three-cycle pulse reveal that the carrier-envelope shape and phase are the essential field parameters determining the bound state electron dynamics during and after the laser-molecule interaction. Analysis of the induced dipole oscillation reveals that the envelope shape (Gaussian or trapezoidal) controls the excited state population distribution. Varying the carrier envelope phase for each of the two pulse envelope shapes considerably changes the excited state populations. Increasing the electric field amplitude alters the relative populations of the excited states, generally exciting higher states. A windowed Fourier transform analysis of the dipole evolution during the laser pulse reveals the dynamics of state excitation and in particular state coupling as the laser intensity increases.
authors.affiliation: Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, USA.
authors.forename: Stanley M
authors.initials: SM
authors.lastname: Smith
authors.forename: Dmitri A
authors.initials: DA
authors.lastname: Romanov
authors.forename: Xiaosong
authors.initials: X
authors.lastname: Li
authors.forename: Jason A
authors.initials: JA
authors.lastname: Sonk
authors.forename: H Bernhard
authors.initials: HB
authors.lastname: Schlegel
authors.forename: Robert J
authors.initials: RJ
authors.lastname: Levis
mesh_terms: D002245:Carbon Dioxide / Q000737:chemistry*; D003198:Computer Simulation; D004563:Electrochemistry; D004583:Electrons; D013997:Time Factors
chemical_list: D002245:Carbon Dioxide