Related papers: Quantum Molecular Charge-Transfer Model for Multi-…
All-polymer solar cells gained substantial achievements in recent years, offering numerous unsettled subjects for mechanical researchers. Based on the Su-Schrieffer-Heeger model, we then simulate the ultrafast dynamics of charge-transfer…
Electron transfer is at the heart of many fundamental physical, chemical, and biochemical processes essential for life. The exact simulation of these reactions is often hindered by the large number of degrees of freedom and by the essential…
We study the dynamics of quantum excitations inside macromolecules which can undergo conformational transitions. In the first part of the paper, we use the path integral formalism to rigorously derive a set of coupled equations of motion…
Isomer depletion via the process of nuclear excitation by inelastic electron scattering is investigated theoretically. A comprehensive study on low-energy nuclear excitations by inelastic electron scattering is performed to analyze the…
We develop an analytical model for ultracold atom-ion collisions using the multichannel quantum-defect formalism. The model is based on the analytical solutions of the r^-4 long-range potential and on the application of a frame…
The decay of an excited atom in the presence of a medium that both scatters and absorbs radiation is studied with the help of a quantum-electrodynamical model. The medium is represented by a half space filled with a randomly distributed set…
X-ray photoabsorption cross sections have been computed for all magnesium ions using the $R$-matrix method. A comparison with the other available data for Mg II-Mg X shows good qualitative agreement in the resultant resonance shapes.…
Ultracold hybrid ion-atom traps offer the possibility of microscopic manipulation of quantum coherences in the gas using the ion as a probe. However, inelastic processes, particularly charge transfer can be a significant process of ion loss…
We use a binary sequential decay model in order to describe the fragmentation of a nucleus induced by the high energy collisions of protons with Au nuclei. Overall agreement between measured and calculated physical observables is obtained.…
We have performed classical and quantum dynamical simulations to calculate dynamical quantities for physical processes of atom - surface scattering, e.g., trapping probability and average energy loss, final angular distribution of a…
We model molecular cloud fragmentation with thin disk non-ideal magnetohydrodynamic simulations that include ambipolar diffusion and partial ionization that transitions from primarily ultraviolet dominated to cosmic ray dominated regimes.…
The inelastic scattering of electrons on weakly-bound nuclei is studied with a simple model based on the long range behavior of the bound state wavefunction and on the effective-range expansion for the continuum wavefunctions. Three…
We examine x-ray scattering from an isolated organic molecule from the linear to nonlinear absorptiveregime. In the nonlinear regime, we explore the importance of both the elastic and inelastic channelsand observe the onset of nonlinear…
The interplay of electronic and nuclear degrees of freedom presents an outstanding problem in condensed matter physics and chemistry. Computational challenges arise especially for large systems, long time scales, in nonequilibrium, or in…
Understanding and controlling the chemical states both in the bulk and at the interfaces of complex oxide thin films is essential for engineering a wide range of electronic, optical, and magnetic functionalities, which arise through…
We report, for the first time, the dependence of the multiplicity of different fragments on the system size employing a quantum molecular dynamics model. This dependence is extracted from the simulations of symmetric collisions of Ca+Ca,…
Analyses of high energy elastic pp and $\bar pp$ scattering data from CERN ISR and SPS Collider seem to provide strong evidence in favor of the gauged nonlinear sigma-model of the nucleon. This model describes the nucleon as a topological…
{\it Ab initio} quantum-mechanical calculations of the differential and integrated cross sections of the elastic scattering, Stark transitions, and Coulomb de-excitation at collisions of excited $\mu^- p$ and $\mu^- d$ atoms with hydrogen…
As a result of spherical kinematics, temporal evolution of received gamma-ray emission should demonstrate signatures of curvature from the emitting shell. Specifically, the shape of the pulse decay must bear a strict dependence on the…
A unitary coupled-channels model is presented for investigating the decays of heavy mesons and excited meson states into three light pseudoscalar mesons. The model accounts for the three-mesons final state interactions in the decay…