Related papers: Close-Coupling Time-Dependent Quantum Dynamics Stu…
Atomic nuclei are composite systems, and they may be dynamically excited during nuclear reactions. Such excitations are not only relevant to inelastic scattering but they also affect other reaction processes such as elastic scattering and…
We report the results of a first-principles study of dissociative electron attachment to H2O. The cross sections are obtained from nuclear dynamics calculations carried out in full dimensionality within the local complex potential model by…
Cross sections and rate coefficients for rovibronic excitation of the CH$^+$ ion by electron impact and dissociative recombination of CH$^+$ with electrons are evaluated using a theoretical approach combining an R-matrix method and…
Simulations of chemical reaction probabilities in gas surface dynamics require the calculation of ensemble averages over many tens of thousands of reaction events to predict dynamical observables that can be compared to experiments. At the…
The role of the exchange-correlation potential and the exchange-correlation kernel in the calculation of excitation energues from time-dependent density functional theory is studied. Excitation energies of the He and Be atoms are…
We have measured the dependence of the relative integral cross section of the reaction Li+HF-->LiF+H on the collision energy using crossed molecular beams. By varying the intersection angle of the beams from 37{\deg} to 90{\deg} we covered…
The competition among reaction processes of a weakly-bound projectile at intermediate times of a slow collision has been unraveled. This has been done using a two-center molecular continuum within a semiclassical, time-dependent…
Within the dinuclear system (DNS) conception, instead of solving Fokker-Planck Equation (FPE) analytically, the Master equation is solved numerically to calculate the fusion probability of super-heavy nuclei, so that the harmonic oscillator…
We report the first study using active-orbital-based and adaptive CC($P$;$Q$) approaches to describe excited electronic states. These CC($P$;$Q$) methodologies are applied, alongside their completely renormalized (CR) coupled-cluster (CC)…
Due to the development of efficient algorithms and the improvement of computer power it is now possible to map out potential energy surfaces (PES) of reactions at surfaces in great detail. This achievement has been accompanied by an…
A review of the approximations in any time-dependent density functional calculation of excitation energies is given. The single-pole approximation for the susceptibility is used to understand errors in popular approximations for the…
Carbon monoxide is a simple molecule present in many astrophysical environments, and collisional excitation rate coefficients due to the dominant collision partners are necessary to accurately predict spectral line intensities and extract…
In the framework of Heisenberg-Langevin theory the dynamical and statistical effects arising from the linear interaction of two nondegenerate down-conversion processes are investigated. Using the strong-pumping approximation the analytical…
The quantum dynamics of colliding Bose-Einstein condensates with 150 000 atoms are simulated directly from the Hamiltonian using the stochastic positive-P method. Two-body correlations between the scattered atoms and their velocity…
Previously a compact formula for total reaction cross section for heavy-ion collisions as a function of energy was obtained by treating the angular momentum $l$ as a continuous variable. The accuracy of the continuum approximation is…
A method is presented for calculating binding energies and other properties of extended interacting systems using the projected density of transitions (PDoT) which is the probability distribution for transitions of different energies…
Energy dependence of quark transverse flow carries information about dynamical properties (equation of state, initial conditions) of deconfined matter produced in heavy ion collisions. We assume quark-antiquark matter formation in Pb+Pb…
In the recent years the NA49 experiment has collected data on Pb+Pb collisions at beam energies between 20 to 158 AGeV with the objective to cover the critical region of energy densities where the expected phase transition to a deconfined…
\begin{description} \item[Background] Fusion reactions play an important role in nucleosynthesis and in applications to society. Yet they remain challenging to model. \item[Purpose] In this work, we investigate the features of the…
We investigate the potential energy surfaces and activation energies for reactions between methyl halide molecules CH$_{3}X$ ($X$ = F, Cl, Br, I) and alkali-metal atoms $A$ ($A$ = Li, Na, K, Rb) using high-level {\it ab initio}…