Related papers: Dissociative recombination by frame transformation…
In this article, we propose a finite volume discretization of a one dimensional nonlinear reaction kinetic model proposed in [Neumann, Schmeiser, Kint. Rel. Mod. 2016], which describes a 2-species recombination-generation process.…
An alternative methodology to investigate indirect polyatomic processes with quasi-classical trajectories is proposed, which effectively avoids any binning or weighting procedure while provides rovibrational resolution. Initial classical…
Using the Quantum Inverse Scattering Method we construct an integrable Heisenberg-XXZ-model, or equivalently a model for spinless fermions with nearest-neighbour interaction, with defects. Each defect involves three sites with a fine tuning…
Electronic decoherence processes in molecules and materials are usually thought and modeled via schemes for the system-bath evolution in which the bath is treated either implicitly or approximately. Here we present computations of the…
We present improved fits to our treatment of suppression of dielectronic recombination at intermediate densities. At low densities, most recombined excited states eventually decay to the ground state, and therefore the total dielectronic…
The time-dependent surface flux method developed for the description of electronic spectra [L. Tao and A. Scrinzi, New J. Phys. 14, 013021 (2012); A. Scrinzi, New J. Phys. 14, 085008 (2012)] is extended to treat dissociation and…
Diffusion behaviors of heterogeneous materials are of paramount importance in many engineering problems. Numerical models that take into account the internal structure of such materials are robust but computationally very expensive. This…
The discrete Fourier transform is approximated by summing over part of the terms with corresponding weights. The approximation reduces significantly the requirement for computer memory storage and enhances the numerical computation…
When a chemical bond is broken, the molecular structure undergoes a transformation. An ideal experiment should probe the change in the electronic and nuclear structure simultaneously. Here, we present a method for the simultaneous…
Three-body recombination processes are treated numerically for a system of three identical bosons. The two-body model potentials utilized support many bound states, a major leap in complexity that produces an intricate structure of sharp…
The increased complexity and reduced size of (opto-)electronic devices demands for quantitative descriptions of excess carrier transport and recombination via various mechanisms. In addition, experimental methods capable of resolving…
We study the electronic resonant states of H3 with energies above the potential energy surface of the H3+ ground state. These resonant states are important for the dissociative recombination of H3+ at higher collision energies, and previous…
We perform a comprehensive analysis for the light scalar dark matter (DM)in the Inert two Higgs doublet model (i2HDM) with compressed mass spectra, small mass splittings among three $\mathbb{Z}_2$ odd particles---scalar $S$, pseudo-scalar…
We use recently developed strong-coupling expansion methods to study the two-particle spectra for the frustrated alternating Heisenberg model, consisting of an alternating nearest neighbor antiferromagnetic exchange and a uniform second…
Motivated by recent experiments on radiative recombination of two-dimensional electrons in acceptor doped GaAs-AlGaAs heterojunctions as well as the success of a harmonic solid model in describing tunneling between two-dimensional electron…
Here we present complex resonance states (or Siegert states), that describe the tunneling decay of a trapped quantum particle, from an intuitive point of view which naturally leads to the easily applicable Siegert approximation method that…
This work investigates two physics-based models that simulate the non-linear partial differential algebraic equations describing an electric double layer supercapacitor. In one model the linear dependence between electrolyte concentration…
Second-order partial differential equations in non-divergence form are considered. Equations of this kind typically arise as subproblems for the solution of Hamilton-Jacobi-Bellman equations in the context of stochastic optimal control, or…
The radiative recombination of a free electron into an excited state of a bare, high-Z ion is studied, together with its subsequent decay, within the framework of the density matrix theory and Dirac's relativistic equation. Special…
The idea of using fragment embedding to circumvent the high computational scaling of accurate electronic structure methods while retaining high accuracy has been a long-standing goal for quantum chemists. Traditional fragment embedding…