ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTIsomerizations controlled by ultrashort infrared laser pulses: model simulations for the inversion of ligands (H) in double-well potential an organometallic compound, [(C5H5)(CO)2FePH2]J. E. Combariza, B. Just, J. Manz, and G. K. ParamonovCite this: Phys. Chem. 1991, 95, 25, 10351–10359Publication Date (Print):December 1, 1991Publication History Published online1 May 2002Published inissue 1 December 1991https://doi.org/10.1021/j100178a022RIGHTS &...

Ultrafast state-selective dynamics of diatomic molecules in the electronic ground state under control infrared picosecond and femtosecond shaped laser pulses is investigated for discrete vibrational bound states dissociative continuum states. Quantum a classical field simulated one-dimensional nonrotating Morse oscillator, representing local OH bond H2O HOD molecules. Computer simulations are based on two approaches — exact treatment by time-dependent Schrödinger equation approximate...

An efficient approach to control isomerization reactions by ultrashort infrared laser pulses in the presence of a thermal environment is developed and demonstrated means model simulations within reduced density matrix formalism beyond Markov-type approximation for picosecond Cope rearrangement 2,6-dicyanoethyl-methylsemibullvalene coupled quasi-resonant environment. The population transfer from reactant state via delocalized transition product accomplished two with probability up 80% despite...

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTLaser control scheme for state-selective ultrafast vibrational excitation of the water-d moleculeJ. Manz and G. K. ParamonovCite this: J. Phys. Chem. 1993, 97, 48, 12625–12633Publication Date (Print):December 1, 1993Publication History Published online1 May 2002Published inissue 1 December 1993https://pubs.acs.org/doi/10.1021/j100150a026https://doi.org/10.1021/j100150a026research-articleACS PublicationsRequest reuse permissionsArticle...

Complete, close to 100%, population transfer between the bound vibrational-rotational states of HF molecule in ground electronic state is demonstrated on a picosecond time scale by means computer simulation within Schr\"odinger wave-function formalism. The laser-induced dissociation from selectively prepared moderately high shown be very efficient, with probability approaching 100%. These processes are controlled ${\mathrm{sin}}^{2}$-shaped linearly polarized laser pulses infrared domain.

We demonstrate that coupled electronic and nuclear fluxes in molecules can strongly depend on the initial state preparation. Starting dynamics of an aligned ${\mathrm{D}}_{2}{}^{+}$ molecule at two different conditions, inner outer turning points, we observe qualitatively oscillation patterns developing after 30 fs. This corresponds to orders magnitude bridged by time evolution dispersion. Moreover, there are attosecond intervals within which do not adapt nuclei motion depending state. These...

Laser-controlled ultrafast state-selective vibrational dynamics of diatomic molecules, which are coupled to an unobserved quasiresonant environment is investigated using the reduced density-matrix formalism beyond and within a Markov-type approximation. Dissipative quantum in classical electric field shaped infrared ultrashort laser pulses simulated for one-dimensional nondissociative Morse oscillator, representing local OH bond ${\mathrm{H}}_{2}$ O HOD molecules electronic ground state....

Vibrationally state-selective complete population transfer from the ground electronic state to excited is demonstrated on a femtosecond time scale for ${X}^{2}\ensuremath{\Pi}$ and ${A}^{2}{\ensuremath{\Sigma}}^{+}$ states of OH molecule by means computer simulation within Schr\"odinger wave-function formalism. State-selective as well. These processes are controlled shaped linearly polarized laser pulses in ultraviolet infrared region, correspondingly, with probability being close 100%.

The possibility of controlling surface photochemistry by the selective vibrational preparation adsorbates with infrared (ir) laser pulses is investigated theoretically. In particular, ir plus ultraviolet (uv) light-induced desorption different isotopomeric neutral from metal surfaces studied help nuclear density matrix theory. As a concrete example system NH3/ND3/Cu(111) chosen. first step “vibrationally mediated chemistry” advocated here, based on computed two-mode dipole functions and...

Ultrafast state-selective vibrational excitation and dissociation controlled by shaped subpicosecond infrared laser pulses is investigated within the reduced density matrix formalism beyond a Markov-type approximation for diatomic molecules, which are coupled to an unobserved quasiresonant environment. Dissipative quantum dynamics in classical electric field simulated discrete bound states dissociative continuum of one-dimensional Morse oscillator, tailored local OH bond...

The quantum dynamics of vibrational excitation and dissociation H2+ by strong temporally shaped infrared (IR) laser pulses has been studied on the femtosecond (fs) time scale numerical solution time-dependent Schrödinger equation with explicit treatment nuclear electron motion beyond Born–Oppenheimer approximation. Using sin2-shaped 120 fs duration a peak intensity I0 > 1014 W/cm2, it found that below-resonant carrier frequency ω < ω10/2 (where ω10 is |v = 0⟩ → 1⟩ transition) much more...

Non-Born-Oppenheimer quantum dynamics of ${\mathrm{H}}_{2}{}^{+}$ and ${\mathrm{HD}}^{+}$ excited by single one-cycle laser pulses linearly polarized along the molecular ($z$) axis have been studied within a three-dimensional model, including internuclear distance $R$ electron coordinates $z$ $\ensuremath{\rho}$, means numerical solution time-dependent Schr\"odinger equation on timescale about 200 fs. Laser carrier frequencies corresponding to wavelengths ${\ensuremath{\lambda}}_{l}=400$ 50...

Quantum dynamics of H2+ excited by two-cycle laser pulses with carrier frequencies corresponding to the wavelengths λl = 800 and 200 nm (corresponding periods τl 2.667 0.667 fs, respectively) being linearly polarized along molecular axis have been studied numerical solution non-Born–Oppenheimer time-dependent Schrödinger equation within a three-dimensional (3D) model, including internuclear distance R electron coordinates z ρ. The amplitudes chosen such that energies after ends pulses, ⟨E⟩ ≈...