Related papers: MOLSCAT: a program for non-reactive quantum scatte…
A FORTRAN77 program is presented that calculates fusion cross sections and mean angular momenta of the compound nucleus under the influence of couplings between the relative motion and several nuclear collective motions. The no-Coriolis…
Techniques for producing cold and ultracold molecules are enabling the study of chemical reactions and scattering at the quantum scattering limit, with only a few partial waves contributing to the incident channel, leading to the…
High-energy particles stream during coronal mass ejections or flares through the plasma of the solar wind. This causes instabilities, which lead to wave growth at specific resonant wave numbers, especially within shock regions. These…
The question of how the scattering cross section changes when the spectra of the colliding nuclei have low-excitation particle-emitting resonances is explored using a multi-channel algebraic scattering (MCAS) method. As a test case, the…
We show that the cross sections for molecule - molecule collisions in the presence of an external field can be computed efficiently using a total angular momentum basis, defined either in the body-fixed frame or in the space-fixed…
In the first part of a series of two papers, we present in considerable detail a collision-driven molecular dynamics algorithm for a system of nonspherical particles, within a parallelepiped simulation domain, under both periodic or…
Within the framework of probability distributions on projective Hilbert space a scheme for the calculation of multitime correlation functions is developed. The starting point is the Markovian stochastic wave function description of an open…
The application of molecular dynamics (MD) simulations to the interpretation of Raman scattering spectra is hindered by inability of atomistic simulations to account for the dynamic evolution of electronic polarizability, requiring the use…
Quantum computing is gaining attention as a new approach for solving complex problems in many scientific fields. In atmospheric and oceanic sciences, it may help reduce computational costs of simulating large and nonlinear systems. However,…
The Short-Time approximation is a method introduced to evaluate electroweak nuclear response for systems with $A\geq12$, extending the reach of first-principle many-body Quantum Monte Carlo calculations. Using realistic two- and three-body…
Multichannel quantum defect theory (MQDT) can provide an efficient alternative to full coupled-channel calculations for low-energy molecular collisions. However, the efficiency relies on interpolation of the Y matrix that encapsulates the…
Intramolecular symmetry-adapted perturbation theory (ISAPT) is a method to compute and decompose the noncovalent interaction energy between two molecular fragments A and B connected via a linker C. The existing ISAPT algorithm displays…
Monte Carlo evaluation is used to calculate heavy-ion elastic scattering including the center-of-mass correction and the Coulomb interaction.Angular distributions are presented for a number of nuclear pairs over a wide energy range using…
The extension of mixed quantum/classical theory (MQCT) to describe collisional energy transfer is developed for symmetric-top-rotor + linear-rotor system type and is applied to $ \rm ND_3 + \rm D_2 $. State-to-state transition cross…
The microscopic coupled-channel calculation of inelastic proton scattering is performed for the study of neutron excitations in $2^+_1$ states of $^{18}$O, $^{10}$Be, $^{12}$Be, and $^{16}$C. Proton-nucleus potentials in the coupled-channel…
In this work, we develop a novel Monte Carlo method for solving the electromagnetic scattering problem. The method is based on a formal solution of the scattering problem as a modified Born series whose coefficients are found by a conformal…
Most computer simulations of molecular dynamics take place under equilibrium conditions--in a closed, isolated system, or perhaps one held at constant temperature or pressure. Sometimes, extra tensions, shears, or temperature gradients are…
Models on logarithmic lattices have recently been proposed as an alternative approach to the study of multi-scale nonlinear physics. Here, we introduce LogLatt, an efficient MATLAB library for the calculus between functions on…
PROJET is a parton level Monte Carlo program for the calculation of jet cross sections in deeply inelastic electron proton scattering. In its present version it contains the Born level diagrams for the production of (1+1), (2+1) and (3+1)…
Compound resonances in nucleon-nucleus scattering are related to the discrete spectrum of the target. Such resonances can be studied in a unified and general framework by a scattering model that uses sturmian expansions of postulated…