相关论文: Approximating a Wavefunction as an Unconstrained S…
This paper presents a new methodology for the solution of problems of two- and three-dimensional acoustic scattering (and, in particular, two-dimensional electromagnetic scattering) by obstacles and defects in presence an arbitrary number…
The inverse power method is a numerical algorithm to obtain the eigenvectors of a matrix. In this work, we develop an iteration algorithm, based on the inverse power method, to numerically solve the Schr\"odinger equation that couples an…
Due to non-linear structure, iterative Green's function methods can result in multiple different solutions even for simple molecular systems. In contrast to the wave-function methods, a detailed and careful analysis of such molecular…
In this paper we consider a step function characterized by an arbitrary sequence of real-valued scalars and approximate it with a matching pursuit (MP) algorithm. We utilize a waveform dictionary with rectangular window functions as part of…
We prove the existence of the modified wave operators for a scalar quasilinear wave equation satisfying the weak null condition. This is accomplished in three steps. First, we derive a new reduced asymptotic system for the quasilinear wave…
In this paper, we consider the final state problem for the nonlinear Schr\"odinger equation with a homogeneous nonlinearity which is of the long range critical order and is not necessarily a polynomial, in one and two space dimensions. As…
We discuss an integral equation approach that enables fast computation of the response of nonlinear multi-degree-of-freedom mechanical systems under periodic and quasi-periodic external excitation. The kernel of this integral equation is a…
We present a class of exponential integrators to compute solutions of the stochastic Schr\"odinger equation arising from the modeling of open quantum systems. In order to be able to implement the methods within the same framework as the…
It has been suggested that the nonlinear Schr\"odinger-Newton equation might approximate the coupling of quantum mechanics with gravitation, particularly in the context of the M{\o}ller-Rosenfeld semiclassical theory. Numerical results for…
In this paper we present a variant of the proximal forward-backward splitting iteration for solving nonsmooth optimization problems in Hilbert spaces, when the objective function is the sum of two nondifferentiable convex functions. The…
We demonstrate that it is possible to compute wave function normalization constants for a class of Schr\"odinger type equations by an algorithm which scales linearly (in the number of eigenfunction evaluations) with the desired precision P…
An differential equation for wave functions is proposed, which is equivalent to Schr\"{o}dinger's wave equation and can be used to determine energy-level gaps of quantum systems. Contrary to Schr\"{o}dinger's wave equation, this equation is…
We discuss the automatic solution of the multichannel Schr\"odinger equation. The proposed approach is based on the use of a CP method for which the step size is not restricted by the oscillations in the solution. Moreover, this CP method…
We study the homogenization of a stochastic Schr\"odinger equation with a large periodic potential in solid state physics. Denoting by $\varepsilon$ the period, the potential is scaled as $\varepsilon^{-2}$. Under a generic assumption on…
A new algorithm to calculate Coulomb wave functions with all of its arguments complex is proposed. For that purpose, standard methods such as continued fractions and power/asymptotic series are combined with direct integrations of the…
We take up the idea of Nelson's stochastic processes, the aim of which was to deduce Schr\"odinger's equation. We make two major changes here. The first one is to consider deterministic processes which are pseudo-random but which have the…
We give an explicit formula for the wave operators for Schroedinger operators on the half-line with a potential decaying strictly faster than the polynomial of degree minus two. The formula consists of the main term given by the scattering…
A simple and explicit technique for the numerical solution of the two-particle, time-dependent Schr\"{o}dinger equation is assembled and tested. The technique can handle interparticle potentials that are arbitrary functions of the…
Deep neural networks have become a highly accurate and powerful wavefunction ansatz in combination with variational Monte Carlo methods for solving the electronic Schr\"odinger equation. However, despite their success and favorable scaling,…
We derive a new integral equation that allows the calculation of the scattering or annihilation amplitude of two particles subjected to two potentials when the corresponding amplitude for one potential only is known. We assume that…