Related papers: Using rectangular collocation with finite differen…
The rectangular collocation approach makes it possible to solve the Schr\"odinger equation with basis functions that do not have amplitude in all regions in which wavefunctions have significant amplitude. Collocation points can be…
We proposed a distributed approximating functional method for efficiently describing the electronic dynamics in atoms and molecules in the presence of the Coulomb singularities, using the kernel of a grid representation derived by using the…
We have applied a collocation approach to obtain the numerical solution to the stationary Schr\"odinger equation for systems of coupled oscillators. The dependence of the discretized Hamiltonian on scale and angle parameters is exploited to…
In this paper, we propose compactly supported radial basis functions for solving some well- known classes of astrophysics problems categorized as non-linear singular initial ordinary dif- ferential equations on a semi-infinite domain. To…
We present a new adaptive method for electronic structure calculations based on novel fast algorithms for reduction of multivariate mixtures. In our calculations, spatial orbitals are maintained as Gaussian mixtures whose terms are selected…
The exact solution of the Schrodinger equation for atoms, molecules and extended systems continues to be a "Holy Grail" problem for the field of atomic and molecular physics since inception. Recently, breakthroughs have been made in the…
B-spline collocation techniques have been applied to Schr\"odinger's equation since the early 1970s, but one aspect that is noticeably missing from this literature is the use of Gaussian points (i.e., the zeros of Legendre polynomials) as…
The stationary Schr\"odinger equation can be cast in the form $H \rho = E \rho$, where $H$ is the system's Hamiltonian and $\rho$ is the system's density matrix. We explore the merits of this form of the stationary Schr\"odinger equation,…
A family of arbitrarily high-order fully discrete space-time finite element methods are proposed for the nonlinear Schr\"odinger equation based on the scalar auxiliary variable formulation, which consists of a Gauss collocation temporal…
We propose a collocation method based on multivariate polynomial splines over triangulation or tetrahedralization for the numerical solution of partial differential equations. We start with a detailed explanation of the method for the…
This article deals with the numerical integration in time of nonlinear Schr\"odinger equations. The main application is the numerical simulation of rotating Bose-Einstein condensates. The authors perform a change of unknown so that the…
In this paper, we advocate a novel spline-based isogeometric approach for boundary elements and its efficient implementation. We compare solutions obtained by both an isogeometric approach, and a classical parametric higher-order approach…
The solution of the hyperangular Schr\"odinger equation for few-body systems using a basis of explicitly correlated Gaussians remains numerically challenging. This is in part due to the number of basis functions needed as the system size…
A new mathematical model for the description of three electron quantum dots in 2D space is created, and ground states of this system in external magnetic field is investigated. The Schrodinger equation for three two-dimensional electrons is…
The exact solution of Schrodinger equation for atoms, molecules and extended systems continues to be a "Holy Grail" problem that the entire field has been striving to solve since its inception. Recently, breakthroughs have been made in the…
We formulate and implement a spectral method for solving the Schrodinger equation, as it applies to quasi-one-dimensional materials and structures. This allows for computation of the electronic structure of important technological materials…
In this work, we develop a high-order collocation method using radial basis function (RBF) for the incompressible Navier-Stokes equation (NSE) on the rotating sphere. The method is based on solving the projection of the NSE on the space of…
In this paper, we investigate the numerical solutions of the cubic nonlinear Schrodinger equation via the exponential B-spline collocation method. Crank-Nicolson formulas are used for time discretization of the target equation. A…
A collocation method is presented for numerical solution of a typical integral equation Rh :=\int_D R(x, y)h(y)dy = f(x), x {\epsilon} D of the class R, whose kernels are of positive rational functions of arbitrary selfadjoint elliptic…
In this paper, we propose an efficient exponential integrator finite element method for solving a class of semilinear parabolic equations in rectangular domains. The proposed method first performs the spatial discretization of the model…