Related papers: Photodetachment dynamics using nonlocal dicrete-st…
Ultracold collisions of neutral atoms and molecules have been of great interest since experimental advances enabled the cooling and trapping of such species. This study is a theoretical investigation of a low-energy collision between an…
The previously applied independent atom model (IAM) for highly charged ion-molecule collisions which implemented the suppression of multiple ionization and capture on the basis of geometric overlaps of cross-sectional areas representing…
We develop a model for predicting fine- and hyperfine intensities in the direct photoionization of molecules based on the separability of electron and nuclear spin states from vibrational-electronic states. Using spherical tensor algebra,…
We propose a method for entangling a system of two-level atoms in photonic crystals. The atoms are assumed to move in void regions of a photonic crystal. The interaction between the atoms is mediated either via a defect mode or via resonant…
Electron capture by {\it isolated} atoms and ions proceeds by photorecombination. In this process a species captures a free electron by emitting a photon which carries away the excess energy. It is shown here that in the presence of an {\it…
Energy nonconservation is a serious problem of dynamical collapse theories. In this paper, we propose a discrete model of energy-conserved wavefunction collapse. It is shown that the model is consistent with existing experiments and our…
Charge-transfer-to-solvent (CTTS) reactions of hydroxide induced by 200 nm monophotonic or 337 nm and 389 nm biphotonic excitation of this anion in aqueous solution have been studied by means of pump-probe ultrafast laser spectroscopy.…
The method of H- photoionization is interesting for laser assisted charge exchange injection. In this paper, the model and computation of photoionization of negative hydrogen ion by using strong lasers is considered. The development of this…
We derive the steady-state electron distribution function for a semiconductor driven far from equilibrium by the inter-band photoexcitation assumed homogeneous over the nanoscale sample. Our analytical treatment is based on the…
Studies on nanoscale materials merit careful development of an electrostatics model concerning discrete point charges within dielectrics. The discrete charge dielectric model treats three unique interaction types derived from an external…
We consider a system consisting of an atom in the dipole approximation, coupled to the electromagnetic field. Using recently introduced renormalized coordinates and dressed states, we give a non-perturbative solution to the atom radiation…
We propose a model for the photo-deactivation mechanism for DNA based upon accurate quantum chemical and molecular dynamical evaluations of model Watson/Crick nucleoside pairs and stacked pairs. Our results corroborate recent ultrafast…
We present efficient and reliable molecular dynamics simulations of the photodissociation of dichloromethane followed by Coulomb explosion. These simulations are performed by calculating trajectories on accurate potential energy surfaces of…
We present a new theory describing the variation of electron capture and bound-state $\beta$-decays in atomic ions and (non) local thermodynamic equilibrium ((N)LTE) plasmas. We adopt the Takahashi-Yokoi nuclear model with added corrections…
A nonadiabatic scheme for the description of the coupled electron and nuclear motions in the ozone molecule was proposed recently. An initial coherent nonstationary state was prepared as a superposition of the ground state and the excited…
Using a combination of high-level ab initio electronic structure methods with efficient on-the-fly semiclassical evaluation of nuclear dynamics, we performed a massive scan of small polyatomic molecules searching for a long lasting…
Based on quantum reactive-scattering theory, we propose a method for studying the electronic nonadiabaticity in collision processes involving electron-ion rearrangements. We investigate the state-to-state transition probability for…
An ab initio simulation of strong-field photodissociation of diatomic molecules was developed, inspired by recent dissociation experiments of F2-. The transition between electronic states was modeled, including the laser pulse and…
Differential Phase Contrast (DPC) imaging, in which deviations in the bright field beam are in proportion to the electric field, has been extensively studied in the context of pure elastic scattering. Here we discuss differential phase…
Processes that break molecular bonds are typically observed with molecules occupying a mixture of quantum states and successfully described with quasiclassical models, while a few studies have explored the distinctly quantum mechanical…