Related papers: Transparent boundary condition and its high freque…
The dynamics of a many-particle system are often modeled by mapping the Hamiltonian onto a Schr\"odinger equation. An alternative approach is to solve the Hamiltonian equations directly in a model space of many-body configurations. In a…
In this study a new type of non-reflective boundary condition (NRBC) for the Lattice Boltzmann Method (LBM) is proposed; the Non-equilibrium Symmetry Boundary Condition (NSBC). The idea behind this boundary condition is to utilize the…
We consider radial complex scaling/perfectly matched layer methods for scalar resonance problems in homogeneous exterior domains. We introduce a new abstract framework to analyze the convergence of domain truncations and discretizations.…
This paper is concerned with the mathematical analysis of time-dependent fluid-solid interaction problem associated with a bounded elastic body immersed in a homogeneous air or fluid above a local rough surface. We reformulate the unbounded…
We propose a spectral collocation method to approximate the exact boundary control of the wave equation in a square domain. The idea is to introduce a suitable approximate control problem that we solve in the finite-dimensional space of…
In this paper we formulate a transmission problem for the transient acoustic wave equation as a system of retarded boundary integral equations. We then analyse a fully discrete method using a general Galerkin semidiscretization-in-space and…
We study some convergence issues for a recent approach to the problem of transparent boundary conditions for the Helmholtz equation in unbounded domains. The approach is based on the minimization on an integral functional which arises from…
In this paper we consider Galerkin-finite element methods that approximate the solutions of initial-boundary-value problems in one space dimension for parabolic and Schr\"odinger evolution equations with dynamical boundary conditions. Error…
We present an efficient method for propagating the time-dependent Kohn-Sham equations in free space, based on the recently introduced Fourier contour deformation (FCD) approach. For potentials which are constant outside a bounded domain,…
Motivated by a similar approach for Born-Oppenheimer molecular dynamics, this paper proposes an extended "shadow" Lagrangian density for quantum states of superfluids. The extended Lagrangian contains an additional field variable that is…
I previously used Burgers' equation to introduce a new method of numerical discretisation of \pde{}s. The analysis is based upon centre manifold theory so we are assured that the discretisation accurately models all the processes and their…
This paper proposes a temporal two-grid compact difference (TTCD) scheme for solving the Benjamin-Bona-Mahony-Burgers (BBMB) equation with initial and periodic boundary conditions. The method consists of three main steps: first, solving a…
We use the "tridiagonal representation approach" to solve the time-independent Schr\"odinger equation for bound states in a basis set of finite size. We obtain two classes of solutions written as finite series of square integrable functions…
Many nanostructures today are low-dimensional and flimsy, and therefore get easily distorted. Distortion-induced symmetry-breaking makes conventional, translation-periodic simulations invalid, which has triggered developments for new…
In molecular reactions at the microscopic level the appearance of resonances has an important influence on the reactivity. It is important to predict when a bound state transitions into a resonance and how these transitions depend on…
In order to constrain the models describing circumstellar environments, it is necessary to solve the radiative transfer equation in the presence of absorption and scattering, coupled with the equation for radiative equilibrium. However,…
We analyse a new subdomain scheme for a time-spectral method for solving initial boundary value problems. Whilst spectral methods are commonplace for spatially dependent systems, finite difference schemes are typically applied for the…
This paper introduces the scaled boundary cubature (SBC) scheme for accurate and efficient integration of functions over polygons and two-dimensional regions bounded by parametric curves. Over two-dimensional domains, the SBC method reduces…
The Schr\"odinger equation is considered on the half line with a selfadjoint boundary condition when the potential is real valued, integrable, and has a finite first moment. It is proved that the potential and the two boundary conditions…
We introduce a space-time finite element method for the linear time-dependent Schr\"odinger equation with Dirichlet conditions in a bounded Lipschitz domain. The proposed discretization scheme is based on a space-time variational…