Femtosecond Collisional Dissipation of Vibrating D_{2}^{+} in Helium Nanodroplets.

We explored the collision-induced vibrational decoherence of singly ionized D_{2} molecules inside a helium nanodroplet. By using the pump-probe reaction microscopy with few-cycle laser pulses, we captured in real time the collision-induced ultrafast dissipation of vibrational nuclear wave packet dynamics of D_{2}^{+} ion embedded in the droplet. Because of the strong coupling of excited molecular cations with the surrounding solvent, the vibrational coherence of D_{2}^{+} in the droplet interior only lasts for a few vibrational periods and completely collapses within 140 fs.

High harmonic generation from Kagome lattice based on multi-band semiclassical trajectory method.

We develop a multi-band semiclassical trajectory (MBSCT) method for studying the high harmonic generation (HHG) from solids, which is fundamentally similar to the Boltzmann equation but describe the electron density distribution in a different way and can simulate the electron transitions between bands, thereby depicting a richer array of physical processes. Compared to other theoretical methods, such as the time-dependent Schrödinger equation, the semiconductor Bloch equation, and time-dependent density functional theory, our MBSCT method avoids issues like massive consumption of computational resources and the need for wave function phase correction. Moreover, we focus on Kagome-type materials to justify the MBSCT method and investigate the influence of flat band on HHG in strong laser fields.

Solid state-like high harmonic generation from cluster molecules with rotational periodicities.

High harmonic generation (HHG) from solid-state crystals in strong laser fields has been understood by the band structure of the solids, which is based on the periodic boundary condition (PBC) due to translational invariance. For the systems with PBC due to rotational invariance, an analogous Bloch theorem can be applied. Considering a ring-type cluster of cyclo[18]carbon as an example, we develop a quasi-band model and predict the solid state-like HHG in this system.

Enhancing Strong-Field Dissociation of H_{2}^{+} in Helium Nanodroplets.

We investigate the above-threshold multiphoton ionization of H_{2} embedded in superfluid He nanodroplets driven by ultraviolet femtosecond laser pulses. We find that the surrounding He atoms enhance the dissociation of in-droplet H_{2}^{+} from lower vibrational states as compared to that of isolated gas-phase molecules. As a result, the discrete peaks in the photoelectron energy spectrum correlated with the HHe^{+} from the dissociative in-droplet molecule shift to higher energies.

Substrate-Modulated Electric and Magnetic Resonances of Lithium Niobite Nanoparticles Illuminated by White Light.

The manipulation of light at the nanoscale is important for nanophotonic research. Lithium niobite (LiNbO), as an ideal building block for metamaterials, has attracted great interest for its unique properties in the field of nonlinear optics. In this paper, we numerically studied the effect of different substrates on the optical resonances of a LiNbO nanoparticle.

Heavy N ion transfer in doubly charged NAr van der Waals cluster.

Van der Waals clusters are weakly bound atomic/molecular systems and are an important medium for understanding micro-environmental chemical phenomena in bio-systems. The presence of neighboring atoms may open channels otherwise forbidden in isolated atoms/molecules. In hydrogen-bond clusters, proton transfer plays a crucial role, which involves mass and charge migration over large distances within the cluster and results in its fragmentation.

Complex multireference configuration interaction calculations for the K-vacancy Auger states of N(q+) (q = 2-5) ions.

K-vacancy Auger states of N(q+) (q = 2-5) ions are studied by using the complex multireference single- and double-excitation configuration interaction (CMRD-CI) method. The calculated resonance parameters are in good agreement with the available experimental and theoretical data. It shows that the resonance positions and widths converge quickly with the increase of the atomic basis sets in the CMRD-CI calculations; the standard atomic basis set can be employed to describe the atomic K-vacancy Auger states well.