Related papers: Modified energy for split-step methods applied to …
We analyze space-time finite element methods for the numerical solution of distributed parabolic optimal control problems with energy regularization in the Bochner space $L^2(0,T;H^{-1}(\Omega))$. By duality, the related norm can be…
In this paper, we introduce a new scheme for the efficient numerical treatment of the electronic Schr\"odinger equation for molecules. It is based on the combination of a many-body expansion, which corresponds to the so-called bond order…
This article explains and illustrates the use of a set of coupled dynamical equations, second order in a fictitious time, which converges to solutions of stationary Schr\"{o}dinger equations with additional constraints. We include three…
The error behavior of exponential operator splitting methods for nonlinear Schr{\"o}dinger equations in the semiclassical regime is studied. For the Lie and Strang splitting methods, the exact form of the local error is determined and the…
In this paper, we present an energy-preserving exponentially integrable numerical method for stochastic wave equation with cubic nonlinearity and additive noise. We first apply the spectral Galerkin method to discretizing the original…
This study focuses on the numerical discretization methods for the continuous-time discounted linear-quadratic optimal control problem (LQ-OCP) with time delays. By assuming piecewise constant inputs, we formulate the discrete system…
In this paper, we consider the large deviations principles (LDPs) for the stochastic linear Schr\"odinger equation and its symplectic discretizations. These numerical discretizations are the spatial semi-discretization based on spectral…
We present a class of non-standard numerical schemes which are modifications of the discrete gradient method. They preserve the energy integral exactly (up to the round-off error). The considered class contains locally exact discrete…
This work proposes a suite of numerical techniques to facilitate the design of structure-preserving integrators for nonlinear dynamics. The celebrated LaBudde-Greenspan integrator and various energy-momentum schemes adopt a difference…
In this paper, we rigorously analyze the energy, momentum and magnetic moment behaviours of two splitting methods for solving charged-particle dynamics. The near-conservations of these invariants are given for the system under constant…
Exact bound state solutions and corresponding normalized eigenfunctions of the radial Schr\"odinger equation are studied for the pseudoharmonic and Mie-type potentials by using the Laplace transform approach. The analytical results are…
We study the Strang splitting scheme for quasilinear Schr\"odinger equations. We establish the convergence of the scheme for solutions with small initial data. We analyze the linear instability of the numerical scheme, which explains the…
We describe a systematic approach for the efficient numerical solution of nonlinear Schr\"odinger-type partial differential equations of the form $(K +V + g|\psi|^2)\psi=0$, with an energy operator $K$, a scalar potential $V$, and a scalar…
We consider Hamiltonian PDEs that can be split into a linear unbounded operator and a regular non linear part. We consider abstract splitting methods associated with this decomposition where no discretization in space is made. We prove a…
We consider the energy critical nonlinear Schr\"odinger equation on periodic domains of the form R^m x T^{4-m} with m=0,1,2,3. Assuming that a certain L^4 Strichartz estimate holds for solutions to the corresponding linear Schr\"odinger…
Finding accurate solutions to the Schr\"odinger equation is the key unsolved challenge of computational chemistry. Given its importance for the development of new chemical compounds, decades of research have been dedicated to this problem,…
In this paper we derive and analyse new exponential collocation methods to efficiently solve the cubic Schr\"{o}dinger Cauchy problem on a $d$-dimensional torus. Energy preservation is a key feature of the cubic Schr\"{o}dinger equation. It…
The logarithmic nonlinearity has been used in many partial differential equations (PDEs) for modeling problems in various applications.Due to the singularity of the logarithmic function, it introducestremendous difficulties in establishing…
In this work we design and analyze a free energy satisfying finite difference method for solving Poisson-Nernst-Planck equations in a bounded domain. The algorithm is of second order in space, with numerical solutions satisfying all three…
This paper presents a linear, decoupled, mass- and energy-conserving numerical scheme for the multi-dimensional coupled nonlinear Schr\"odinger (CNLS) system. The scheme combines the fourth-order compact difference approximation in space…