Related papers: Using rectangular collocation with finite differen…
This work proposes and analyzes a generalized acceleration technique for decreasing the computational complexity of using stochastic collocation (SC) methods to solve partial differential equations (PDEs) with random input data. The SC…
We approximate the solution for the time dependent Schr\"odinger equation (TDSE) in two steps. We first use a pseudo-spectral collocation method that uses samples of functions on rank-1 or rank-r lattice points with unitary Fourier…
A covariant non-local extention if the stationary Schr\"odinger equation is presented and it's solution in terms of Heisenbergs's matrix quantum mechanics is proposed. For the special case of the Riesz fractional derivative, the calculation…
The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules.…
We introduce low regularity exponential-type integrators for nonlinear Schr\"odinger equations for which first-order convergence only requires the boundedness of one additional derivative of the solution. More precisely, we will prove…
This work deals with the numerical solution of systems of oscillatory second-order differential equations which often arise from the semi-discretization in space of partial differential equations. Since these differential equations exhibit…
Propagation of the TE electromagnetic waves in self-focusing medium is governed by the nonlinear Schroedinger equation. In this paper the stationary solutions of this equation have been systematically presented. The phase-plane method,…
We discuss stationary solutions of the nonlinear Schrodinger equation (NSE) applicable to several quantum spin, electron and classical lattice systems. We show that there may arise chaotic spatial structures in the form of incommensurate or…
We formulate a smoothed-particle hydrodynamics numerical method, traditionally used for the Euler equations for fluid dynamics in the context of astrophysical simulations, to solve the non-linear Schrodinger equation in the Madelung…
In recent times it has been paid attention to the fact that (linear) wave equations admit of "soliton-like" solutions, known as Localized Waves or Non-diffracting Waves, which propagate without distortion in one direction. Such Localized…
In this paper, we present an implicit Crank-Nicolson finite element (FE) scheme for solving a nonlinear Schr\"odinger-type system, which includes Schr\"odinger-Helmholz system and Schr\"odinger-Poisson system. In our numerical scheme, we…
We used a collocation method in refinable spline space to solve a linear dynamical system having fractional derivative in time. The method takes advantage of an explicit derivation rule for the B-spline basis that allows us to efficiently…
The implementation of the orbital minimization method (OMM) for solving the self-consistent Kohn-Sham (KS) problem for electronic structure calculations in a basis of non-orthogonal numerical atomic orbitals of finite-range is reported. We…
Stochastic spectral methods have achieved great success in the uncertainty quantification of many engineering problems, including electronic and photonic integrated circuits influenced by fabrication process variations. Existing techniques…
This paper introduces filtered finite difference methods for numerically solving a dispersive evolution equation with solutions that are highly oscillatory in both space and time. We consider a semiclassically scaled nonlinear Schr\"odinger…
For the first time, a nonlinear Schr\"odinger equation of the general form is considered, depending on time and two spatial variables, the potential and dispersion of which are specified by two arbitrary functions. This equation naturally…
The non-relativistic electronic Hamiltonian, H(a)= Hkin + Hne + aHee, extended with coupling strength parameter (a), allows to switch the electron-electron repulsion energy off and on. First, the easier a=0 case is solved and the solution…
We present a new kind of basis function for discretizing the Schr\"odinger equation in electronic structure calculations, called a gausslet, which has wavelet-like features but is composed of a sum of Gaussians. Gausslets are placed on a…
The Schrodinger equation is a mathematical equation describing the wave function's behavior in a quantum-mechanical system. It is a partial differential equation that provides valuable insights into the fundamental principles of quantum…
A combination of the variable-constant and complex coordinate rotation methods is used to solve the two-body Schr\"odinger equation. The latter is replaced by a system of linear first-order differential equations, which enables one to…