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We study the systematic numerical approximation of a class of Allen-Cahn type problems modeling the motion of phase interfaces. The common feature of these models is an underlying gradient flow structure which gives rise to a decay of an…
State-of-the-art many-body wave function techniques rely on heuristics to achieve high accuracy at an attainable cost to solve the many-body Schr\"odinger equation. By far the most common property used to assess accuracy has been the total…
The Classical-map Hyper-Netted-Chain (CHNC) technique is a simple method of calculating quantum pair-distribution functions, spin-dependent energies, etc., of strongly-interacting {\it uniform} systems. We present CHNC calculations of…
An approximation of a system coupling the cross-diffusion of chemical species within a solvent, subjected to an electric field, is obtained through a control volume finite element (CVFE) scheme on general simplicial meshes in two or three…
The B-spline R-matrix and the convergent close-coupling methods are used to study electron collisions with neutral beryllium over an energy range from threshold to 100 eV. Coupling to the target continuum significantly affects the results…
Complete and physically adequate analytical and semi-analytical solutions have been obtained using a practical dimensionless form of kinetic equation assuming azimuthal symmetry and Maxwellian distributions of target plasma species.…
For identical bosons with a large scattering length, the dependence of the 3-body recombination rate on the collision energy is determined in the zero-range limit by universal functions of a single scaling variable. There are six scaling…
A review of some recently developed methods of calculating multiple differential cross-sections of photoionization and electron impactionization of atoms and molecules having two active electrons is presented. The methods imply original…
We establish the existence of wave-like solutions to spatially coupled graphical models which, in the large size limit, can be characterized by a one-dimensional real-valued state. This is extended to a proof of the threshold saturation…
The Coulomb deexcitation of light exotic atoms in collisions with hydrogen atoms has been studied in the framework of the fully quantum-mechanical close-coupling method for the first time. The calculations of the $l$-averaged cross sections…
We present an approach to calculation of point defect optical and thermal ionization energies based on the highly accurate quantum Monte Carlo methods. The use of an inherently many-body theory that directly treats electron correlation…
A new perturbative approach to canonical equation-of-motion coupled-cluster theory is presented using coupled-cluster perturbation theory. A second-order M{\o}ller-Plesset partitioning of the Hamiltonian is used to obtain the well known…
We consider in this contribution a simplified idealized one-dimensional model in a nuclear core reactor coupling the diffusion equation on the neutron flux withthe enthalpy equation for the water which collects the heat produced by this…
The total single-photon ionisation cross section was calculated for helium atoms in their ground state. Using a full configuration-interaction approach the photoionisation cross section was extracted from the complex-scaled resolvent. In…
We study the correlation between balance energy and transition energy of fragment in heavy-ion collisions for different systems at incident energies between 40 and 1200 MeV/nucleon using an isospin-dependent quantum molecular dynamics…
The total energies of a large number of diatomic (or two-center) one-electron $A^{+} B^{+} e^{-}$ ions with unit electrical charges are determined numerically to high accuracy. Based on these results we derive some accurate…
We present numerically exact solutions to the full-dimensional Schrodinger Equation for the few-electron gas (few-EG) model of electronic structure theory. Our core methodology uses a Sum-of-Products (SOP) representation of singular…
Recent advances in the treatment of scattering of charged composite particles are reviewed. In a first part I report on developments of the theory. Specifically I describe the recent completion of the derivation of the co-ordinate space…
A collisional model of a confined quasi-two-dimensional granular mixture is considered to analyze homogeneous steady states. The model includes an effective mechanism to transfer the kinetic energy injected by vibration in the vertical…
The rovibrational level populations, and subsequent emission in various astrophysical environments, is driven by inelastic collision processes. The available rovibrational rate coefficients for water have been calculated using a number of…