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Molecular iodine was photoexcited by a strong 800 nm laser, driving several channels of multiphoton excitation. The motion following photoexcitation was probed using time-resolved X-ray scattering, which produces a scattering map $S(Q,tau)$. Temporal Fourier transform methods were employed to obtain a frequency-resolved X-ray scattering signal $tilde{S}(Q,omega)$. Taken together, $S(Q,tau)$ and $tilde{S}(Q,omega)$ separate different modes of motion, so that mode-specific nuclear oscillatory positions, oscillation amplitudes, directions of motions, and times may be measured accurately. Molecular dissociations likewise have a distinct signature, which may be used to identify both velocities and dissociation time shifts, and also can reveal laser-induced couplings among the molecular potentials.
The global optimum for valence population transfer in the NO$_2$ molecule driven by impulsive x-ray stimulated Raman scattering of one-femtosecond x-ray pulses tuned below the Oxygen K-edge is determined with the Multiconfiguration Time-Dependent Har
The strong coupling between intense laser fields and valence electrons in molecules causes a distortion of the potential energy hypersurfaces which determine the motion of nuclei in a molecule and influences possible reaction pathways. The coupling s
We present a cost-effective treatment of the triple excitation amplitudes in the time-dependent optimized coupled-cluster (TD-OCC) framework called TD-OCCDT(4) for studying intense laser-driven multielectron dynamics. It considers triple excitation a
X-ray scattering is a weak linear probe of matter. It is primarily sensitive to the position of electrons and their momentum distribution. Elastic X-ray scattering forms the basis of atomic structural determination while inelastic Compton scattering
We investigate the ultracold reaction dynamics of magnetically trapped NH($X ^3Sigma^-$) radicals using rigorous quantum scattering calculations involving three coupled potential energy surfaces. We find that the reactive NH + NH cross section is dri