相关论文: On rotational-vibrational spectrum of diatomic ber…

We extend the conforming virtual element method to the numerical resolution of eigenvalue problems with potential terms on a polytopal mesh. An important application is that of the Schrodinger equation with a pseudopotential term. This…

We introduce \texttt{featom}, an open source code that implements a high-order finite element solver for the radial Schr\"odinger, Dirac, and Kohn-Sham equations. The formulation accommodates various mesh types, such as uniform or…

A challenging difficulty in solving the radial Dirac eigenvalue problem numerically is the presence of spurious (unphysical) eigenvalues among the correct ones that are neither related to mathematical interpretations nor to physical…

We consider fourth order singularly perturbed eigenvalue problems in one-dimension and the approximation of their solution by the $h$ version of the Finite Element Method (FEM). In particular, we use piecewise Hermite polynomials of degree…

The finite element method(FEM) is applied to bound leading eigenvalues of Laplace operator over polygonal domain. Compared with classical numerical methods, most of which can only give concrete eigenvalue bounds over special domain of…

We apply a new calculation scheme of a finite element method (FEM) for solving an elliptic boundary-value problem describing a quadrupole vibration collective nuclear model with tetrahedral symmetry. We use of shape functions constructed…

We present a framework to solve non-linear eigenvalue problems suitable for a Finite Element discretization. The implementation is based on the open-source finite element software GetDP and the open-source library SLEPc. As template…

A numerical scheme is presented for approximating fractional order Poisson problems in two and three dimensions. The scheme is based on reformulating the original problem posed over $\Omega$ on the extruded domain…

An electron in quantum confinement takes on a discrete energy spectrum which is defined based on the solution to the Schrodinger Equation for a given potential. Well defined closed-form energy spectra are known for the particle in a box,…

We consider a fourth order, reaction-diffusion type, singularly perturbed boundary value problem, and the regularity of its solution. Specifically, we provide estimates for arbitrary order derivatves, which are explicit in the singular…

For the eigenvalue problem of the Steklov differential operator, by following Liu's approach, an algorithm utilizing the conforming finite element method (FEM) is proposed to provide guaranteed lower bounds for the eigenvalues. The proposed…

In this paper, we develop a new reduced basis (RB) method, named as Single Eigenvalue Acceleration Method (SEAM), for second-order parabolic equations with homogeneous Dirichlet boundary conditions. The high-fidelity numerical method adopts…

We demonstrate an application of the spectral method as a numerical approximation for solving Hyperbolic PDEs. In this method a finite basis is used for approximating the solutions. In particular, we demonstrate a set of such solutions for…

In this paper we apply the boundary elements method (BEM) and the dual reciprocity boundary elements method (DRBEM) for the numerical solution of two-dimensional time-fractional partial differential equations (TFPDEs). The fractional…

The simulation of strongly correlated many-electron systems is one of the most promising applications for near-term quantum devices. Here we use a class of eigenvalue solvers (presented in Phys. Rev. Lett. 126, 070504 (2021)) in which a…

The Fractional Diffusion Equation (FDE) is a mathematical model that describes anomalous transport phenomena characterized by non-local and long-range dependencies which deviate from the traditional behavior of diffusion. Solving this…

We analyse the nonconforming Virtual Element Method (VEM) for the approximation of elliptic eigenvalue problems. The nonconforming VEM allow to treat in the same formulation the two- and three-dimensional case.We present two possible…

Over the past decade, Finite Element Method (FEM) has served as a foundational numerical framework for approximating the terms of Time Series Expansion (TSE) as solutions to transient Partial Differential Equation (PDE). However, the…

The Bethe-Salpeter equation (BSE) is currently the state of the art in the description of neutral electron excitations in both solids and large finite systems. It is capable of accurately treating charge-transfer excitations that present…

We calculate the bound state spectrum of the highly excited valence electron in the heavy alkali atoms solving the radial Schr\"odinger eigenvalue problem numerically with an accurate spectral collocation algorithm that applies also for a…