Related papers: Efficient calculation of the Coulomb matrix and it…
The Hartree-Fock based diagonalization is a computational method for the investigation of the low-energy properties of correlated electrons in disordered solids. The method is related to the quantum-chemical configuration interaction…
We describe CPMC-Lab, a Matlab program for the constrained-path and phaseless auxiliary-field Monte Carlo methods. These methods have allowed applications ranging from the study of strongly correlated models, such as the Hubbard model, to…
We make a gradient correction to a new local density approximation form of positron-electron correlation. Then the positron lifetimes and affinities are probed by using these two approximation forms based on three electronic-structure…
We develop an algebraic approach for finding the eigenfunctions of a large class of few and many-body Hamiltonians, in one and higher dimensions, having linear spectra. The method presented enables one to exactly map these interacting…
The evaluation of long-range Coulomb interactions is a significant cost in molecular dynamics (MD), even when using Particle Mesh Ewald (PME) or Particle-Particle-Particle-Mesh (PPPM) methods, which rely on Ewald splitting and the fast…
We obtain a symmetric tridiagonal matrix representation of the Dirac-Coulomb operator in a suitable complete square integrable basis. Orthogonal polynomials techniques along with Darboux method are used to obtain the bound states energy…
We investgate the breakup of one-neutron halo nuclei in the Coulomb field of a target nucleus. In the post-form distorted wave Born approximation theory of this reaction, with only Coulomb distortions in the entrance and the outgoing…
In one of the most important methods in Density Functional Theory - the Full-Potential Linearized Augmented Plane Wave (FLAPW) method - dense generalized eigenproblems are organized in long sequences. Moreover each eigenproblem is strongly…
We develop a random batch Ewald (RBE) method for molecular dynamics simulations of particle systems with long-range Coulomb interactions, which achieves an $O(N)$ complexity in each step of simulating the $N$-body systems. The RBE method is…
The repulsive Coulomb force poses severe challenges when describing $(d, p)$ reactions for highly charged nuclei as a three-body problem. Casting Faddeev-AGS equations in a Coulomb basis avoids introducing screening of the Coulomb force.…
We investigate the scattering of scalar plane waves in two dimensions by a heterogeneous layer that is periodic in the direction parallel to its boundary. On describing the layer as a union of periodic laminae, we develop a solution of the…
Coulomb dissociation is an especially simple and important reaction mechanism. Since the perturbation due to the electric field of the (target) nucleus is exactly known, firm conclusions can be drawn from such measurements. Electromagnetic…
We compare the use of the Coulomb gauge in finite temperature QED with a recently proposed prescription for covariant gauges, in which only the transverse photon degrees of freedom are thermalized. Using the Landau rule as a guide, we…
We outline a rigorous method which can be used to solve the many-body Schroedinger equation for a Coulomb interacting electronic system in an external classical magnetic field as well as a quantized electromagnetic field. Effects of the…
We augment the time-linear formulation of the Kadanoff-Baym equations for systems of interacting electrons and quantized phonons or photons with the $G\widetilde{W}$ approximation, the Coulomb interaction $\widetilde{W}$ being dynamically…
We investigate the Coulomb phase shift, and derive and analyze new and more precise analytical formulae. We consider next to leading order terms to the Stirling approximation, and show that they are important at small values of the angular…
Quasi two-dimensional Coulomb systems have drawn widespread interest. The reduced symmetry of these systems leads to complex collective behaviors, yet simultaneously poses significant challenges for particle-based simulations. In this…
We derive and implement symmetry-projected Hartree-Fock-Bogoliubov (HFB) equations and apply them to the molecular electronic structure problem. All symmetries (particle number, spin, spatial, and complex conjugation) are deliberately…
We develop a unified approach for establishing rates of decay for the Fourier transform of a wide class of dynamically defined measures. Among the key features of the method is the systematic use of the $L^2$-flattening theorem obtained in…
The first discussion of basis sets consisting of exponentially decaying Coulomb Sturmian functions for modelling electronic structures is presented. The proposed basis set construction selects Coulomb Sturmian functions using separate upper…