Related papers: Quantum preconditioning method for linear systems …
The 1D Schr\"odinger equation closed with the transparent boundary conditions(TBCs) is known as a successful model for describing quantum effects, and is usually considered with a self-consistent Poisson equation in simulating quantum…
We show how the highly accurate and efficient Constant Perturbation (CP) technique for steady-state Schr\"odinger problems can be used in the solution of time-dependent Schr\"odinger problems with explicitly time-dependent Hamiltonians,…
We obtain a complete series solution of stationary Schr\"odinger's equation in the general quantum systems. It is exact in the sense that any approximation means is not used, or that the whole corrections or contributions from all order…
Partial differential equation (PDE) models with multiple temporal/spatial scales are prevalent in several disciplines such as physics, engineering, and many others. These models are of great practical importance but notoriously difficult to…
In this paper, we propose a new method to compute the solution of time-dependent Schr\"odinger equation (TDSE). Using push-forward maps and Wasserstein Hamiltonian flow, we reformulate the TDSE as a Hamiltonian system in terms of…
We study low-rank tensor methods for the numerical solution of Schr\"odinger's equation with time-independent and explicitly time-dependent Hamiltonians, motivated by large-scale simulations of many-body quantum systems and quantum…
The quasilinearization method (QLM) of solving nonlinear differential equations is applied to the quantum mechanics by casting the Schr\"{o}dinger equation in the nonlinear Riccati form. The method, whose mathematical basis in physics was…
The time dependent complex Schr\"odinger equation with cubic nonlinearity is solved by constructing differential quadrature algorithm based on sinc functions. Reduction to a coupled system of real equations enables to approach the space…
We present a novel numerical method and algorithm for the solution of the 3D axially symmetric time-dependent Schr\"odinger equation in cylindrical coordinates, involving singular Coulomb potential terms besides a smooth time-dependent…
This article discusses applications of Bayesian machine learning for quantum molecular dynamics. One particular formulation of quantum dynamics advocated here is in the form of a machine learning simulator of the Schr\"{o}dinger equation.…
The functional Schr\"odinger representation of a scalar field on an $n$-dimensional static space-time background is argued to be a singular limiting case of the hypercomplex quantum theory of the same system obtained by the precanonical…
The numerical simulation of the time-dependent Schr\"odinger equation for quantum systems is a very active research topic. Yet, resolving the solution sufficiently in space and time is challenging and mandates the use of modern…
In this paper, we consider the unique continuation problem for the Schr\"odinger equations. We prove a H\"older type conditional stability estimate and build up a parameterized stabilized finite element scheme adaptive to the \textit{a…
One of the greatest scientific achievements of physics in the 20th century is the discovery of quantum mechanics. The Schrodinger equation is the most fundamental equation in quantum mechanics describing the time-based evolution of the…
The introduction of nonlinearities in the Schr\"odinger equation has been considered in the literature as an effective manner to describe the action of external environments or mean fields. Here, in particular, we explore the nonlinear…
The stationary 1D Schr\"odinger equation with a polynomial potential $V(q)$ of degree N is reduced to a system of exact quantization conditions of Bohr-Sommerfeld form. They arise from bilinear (Wronskian) functional relations pairing…
Quantum mechanics has introduced a new theoretical framework for the study of molecules, enabling the prediction of properties and dynamics through the solution of the Schr\"odinger equation applied to these systems. However, solving this…
Using a simple geometrical construction based upon the linear action of the Heisenberg--Weyl group we deduce a new nonlinear Schr\"{o}dinger equation that provides an exact dynamic and energetic model of any classical system whatsoever, be…
We present a new filtered low-regularity Fourier integrator for the cubic nonlinear Schr\"odinger equation based on recent time discretization and filtering techniques. For this new scheme, we perform a rigorous error analysis and establish…
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…