Related papers: Extended Hybridization Expansion Solver for Impuri…
Quantum chemistry methods exploiting density-functional approximations for short-range electron-electron interactions and second-order M{{\o}}ller-Plesset (MP2) perturbation theory for long-range electron-electron interactions have been…
We present some new results on the dynamic regressor extension and mixing parameter estimators for linear regression models recently proposed in the literature. This technique has proven instrumental in the solution of several open problems…
Various properties of the general two-center two-electron integral over the explicitly correlated exponential function are analyzed for the potential use in high precision calculations for diatomic molecules. A compact one dimensional…
We present recent advances in understanding of the ground and excited states of the electron-phonon coupled systems obtained by novel methods of Diagrammatic Monte Carlo and Stochastic Optimization, which enable the approximation-free…
A surface integral equation solver is proposed for fast and accurate simulation of interconnects embedded in stratified media. A novel technique for efficient computation of the multilayer Green's function is proposed. Using the Taylor…
We study the dynamics of a mobile impurity in a two-leg bosonic ladder. The impurity moves both along and across the legs and interacts with a bath of interacting bosonic particles present in the ladder. We use both analytical…
The 1/$N$ expansion solutions for the interacting boson model are extended to higher orders using computer algebra. The analytic results are compared with those obtained from an exact diagonalization of the Hamiltonian and are shown to be…
A two-parameter extension of the density-scaled double hybrid approach of Sharkas et al. [J. Chem. Phys. 134, 064113 (2011)] is presented. It is based on the explicit treatment of a fraction of multideterminantal exact exchange. The…
The use of charge balance functions in heavy-ion collision studies was initially proposed as a probe of delayed hadronization and two-stage quark production in these collisions. It later emerged that general balance functions can also serve…
Acoustic room modes and the Green's function mode expansion are well-known for rectangular rooms with perfectly reflecting walls. First-order approximations also exist for nearly rigid boundaries; however, current analytical methods fail to…
We evaluate the accuracy of electron densities and quasiparticle energy gaps given by hybrid functionals by directly comparing these to the exact quantities obtained from solving the many-electron Schrodinger equation. We determine the…
An exciton theory for quasi-one dimensional organic materials is developed in the framework of the Su-Schrieffer-Heeger Hamiltonian augmented by short range extended Hubbard interactions. Within a strong electron-electron correlation…
The theory of Raman scattering by the electron--phonon coupled system in metals and heavily doped semiconductors is developed taking into account the Coulomb screening and the electron--phonon deformation interaction. The Boltzmann equation…
Understanding electron correlation requires solving inseparable Schrodinger equation. In general, inseparable Schr\"odinger equations cannot be solved analytically. So their solutions are obtained numerically. In this paper we investigate…
Modeling contact mechanics with high contrast coefficients presents significant mathematical and computational challenges, especially in achieving strongly symmetric stress approximations for mixed formulations. Due to the inherent…
The acoustic excitations of the expanded metal solutions Li-NH$_3$ have been measured by inelastic X-ray scattering as a function of the electron density by changing the Li concentration. The dielectric functions of these model metals with…
The paper aims to propose a suitable method in finding the solution of tensor complementarity problem. The tensor complementarity problem is a subclass of nonlinear complementarity problems for which the involved function is defined by a…
Diffusion models have demonstrated exceptional performances in various fields of generative modeling, but suffer from slow sampling speed due to their iterative nature. While this issue is being addressed in continuous domains, discrete…
A general expression for the Green's function of a system of $N$ particles (bosons/fermions) interacting by contact potentials, including impurities with Dirac-delta type potentials is derived. In one dimension for $N>2$ bosons from our…
We consider a variant of regression problem, where the correspondence between input and output data is not available. Such shuffled data is commonly observed in many real world problems. Taking flow cytometry as an example, the measuring…