Atomic and Molecular Clusters
We report a combined experimental and theoretical study on the formation of O2+ by electronimpact double ionization and fragmentation of carbon dioxide (CO2) molecule. Through fragment ions and electron coincidence momentum imaging, we…
The structure and dynamics of isolated nanosamples in free flight can be directly visualized via single-shot coherent diffractive imaging using the intense and short pulses of X-ray free-electron lasers. Wide-angle scattering images even…
Beam deflection is capable of providing valuable information about the magnetic moments of molecules and clusters as well as the relaxation dynamics of their spins. However, observations have been hampered by magnetic couplings to excited…
We report on the sticking time of the AlF dimer in the ultracold regime. We employ a full-dimensional potential energy surface for AlF-AlF, constructed using a machine learning approach [X. Liu et al., J. Chem. Phys. 159, 144103 (2023)], to…
We present an automated framework for constructing Taylor series expansions of rovibrational kinetic and potential energy operators for arbitrary molecules, internal coordinate systems, and molecular frame embedding conditions. Expressing…
The solvation process of an alkali ion (Na$^+$, K$^+$, Rb$^+$, Cs$^+$) inside a superfluid $^4$He$_{2000}$ nanodroplet is investigated theoretically using liquid $^4$He time-dependent density functional theory at zero temperature. We…
We investigated the optical cycling effect of the $\mathrm{X}^2\Sigma(v=0,\ N=1^-) - \mathrm{A}^2\Pi_{1/2}(v'=0,\ J'=1/2^+)$ band of MgF molecules, specifically the $\mathrm{P_1/Q_{12}(1)}$ transition, which serves as the main transition in…
Improving the efficiency and stability of organic light-emitting diodes (OLEDs) will further expand their present success in display applications. Triplet exciton-polaron quenching (TPQ) is an important cause of limited efficiency and…
A new method for determining the condensate fraction and cluster density in absolute units has been proposed and tested for a supersonic argon jet, which can also be applied to supersonic jets of other gases. The method is based on…
We show that the many-body features of graphene band structure and electronic response can be accurately evaluated by applying many-body perturbation theory to a tight-binding (TB) model. In particular, we compare TB results for the optical…
In the photonic spin Hall effect (SHE), also known as the transverse shift, incident light photons with opposite spins are spatially separated in the transverse direction due to the spin-orbit interaction of light. Here, we propose a…
Twisted electron-impact single ionization ((e,2e) process) of water molecule is theoretically studied in the presence of an external laser field. Calculations have been performed in the framework of the first Born approximation in coplanar…
Spectroscopic data on alkali-atom dimers residing on the surface of liquid helium nanodroplets have revealed that they are detected primarily in the weakly bound, metastable, spin-triplet state. Here, by measuring the magnetic Stern-Gerlach…
In pick-up experiments using nanodroplet and nanocluster beams, the size distribution of hosts carrying a specified number of dopants changes when the vapor density in the pick-up region is altered. This change, analyzed here, has…
We show that a nonchiral atom can act as an antenna to induce a photoelectron circular dichroism in a nearby chiral molecule in a three-step process: The donor atom (antenna) is initially resonantly excited by circularly polarized…
We implement an independent-atom and independent-electron model to investigate the collision systems of He$^{2+}$ and He$^{+}$ ion projectiles impinging on a neon dimer target. The dimer is set to be stationary at its equilibrium bond…
We present a kinematically complete study of dissociative electron attachment (DEA) in linear OCS molecules, focusing on how electrons resonantly attach and trigger dissociation. Near the Franck-Condon regime, DEA is dominated by molecular…
We report on time-resolved coherent diffraction imaging of gas-phase silver nanoparticles, strongly heated via their plasmon resonance. The x-ray diffraction images reveal a broad range of phenomena for different excitation strengths, from…
In this work, the melting phase transitions of $Fe_{n}$ nanoclusters with $10 \leq n \leq 100$ atoms are investigated using classical many-body molecular dynamics simulations. For many cluster sizes, surface melting occurs at much lower…
We present the first quantum mechanical study of hyperfine effects in the rotational cluster states of a symmetric triatomic molecule H$_2$S. Rotational clusters arise from spontaneous symmetry breaking induced by high-angular-momentum…