Related papers: Numerical approximation of the Schr\"odinger equat…
We use special quadrature formulas for singular and hypersingular integral to numerically solve the Schr\"{o}dinger equation in momentum space with the linear confinement potential, Coulomb and Cornell potentials. It is shown that the…
We present a fast direct solution method for the advection-diffusion equation in one and two dimensions with non-periodic boundaries. Computational cost is reduced to $\mathcal O(N)$ by making a low-rank approximation of the Green's…
We present a practical algorithm based on symplectic splitting methods to integrate numerically in time the Schr\"odinger equation. When discretized in space, the Schr\"odinger equation can be recast as a classical Hamiltonian system…
We revisit the following nonlinear Schr\"odinger system \begin{align*}\begin{cases} -\epsilon^{2}\Delta u +P(x) u= \mu_1 u^3 +\beta uv^2, &~\text{in}\;\mathbb {R}^3,\\ -\epsilon^{2}\Delta v+Q(x) v= \mu_2 v^3 +\beta u^2v,…
Schr\"odinger equations with time-dependent potentials are of central importance in quantum physics and theoretical chemistry, where they aid in the simulation and design of systems and processes at atomic scales. Numerical approximation of…
A modified Green operator is proposed as an improvement of Fourier-based numerical schemes commonly used for computing the electrical or thermal response of heterogeneous media. Contrary to other methods, the number of iterations necessary…
We introduce a new arbitrarily high-order method for the rapid evaluation of hyperbolic potentials (space-time integrals involving the Green's function for the scalar wave equation). With $M$ points in the spatial discretization and $N_t$…
We consider the numerical approximation of a system of partial differential equations involving a nonlinear Schr\"odinger equation coupled with a hyperbolic conservation law. This system arises in models for the interaction of short and…
We present a fast algorithm that constructs a data-sparse approximation of matrices arising in the context of integral equation methods for elliptic partial differential equations. The new algorithm uses Green's representation formula in…
Building on the blueprint from Goemans and Williamson (1995) for the Max-Cut problem, we construct a polynomial-time approximation algorithm for orthogonally constrained quadratic optimization problems. First, we derive a semidefinite…
For the first time, the general nonlinear Schr\"odinger equation is investigated, in which the chromatic dispersion and potential are specified by two arbitrary functions. The equation in question is a natural generalization of a wide class…
A revised iterative method based on Green function defined by quadratures along a single trajectory is proposed to solve the low-lying quantum wave function for Schroedinger equation. Specially a new expression of the perturbed energy is…
Accurate computation of the Green's function is crucial for connecting experimental observations to the underlying quantum states. A major challenge in evaluating the Green's function in the time domain lies in the efficient simulation of…
This paper is concerned with the numerical analysis of linear and nonlinear Schr{\"o}dinger equations with analytic potentials. While the regularity of the potential (and the source term when there is one) automatically conveys to the…
The aim of this paper is to develop new optimized Schwarz algorithms for the one dimensional Schr{\"o}dinger equation with linear or nonlinear potential. After presenting the classical algorithm which is an iterative process, we propose a…
We consider the quantum complexity of estimating matrix elements of unitary irreducible representations of groups. For several finite groups including the symmetric group, quantum Fourier transforms yield efficient solutions to this…
We explore the framework of a real-time coupled cluster method with a focus on improving its computational efficiency. Propagation of the wave function via the time-dependent Schr\"odinger equation places high demands on computing…
This paper introduces a novel deep-learning-based approach for numerical simulation of a time-evolving Schr\"odinger equation inspired by stochastic mechanics and generative diffusion models. Unlike existing approaches, which exhibit…
Computing many eigenpairs of the Schr{\"o}dinger operator presents a computational bottleneck in large-scale quantum simulations due to the global communication overhead of explicit orthogonalization. To address this issue, we propose a…
We focus here on a class of fourth-order parabolic equations that can be written as a system of second-order equations by introducing an auxiliary variable. We design a novel second-order fully discrete mixed finite element method to…