Related papers: A combined R-matrix eigenstate basis set and finit…
We apply the spectral element method to the determination of scattering and bound states of the multichannel Schr\"odinger equation. In our approach the reaction coordinate is discretized on a grid of points whereas the internal coordinates…
We study the Schroedinger equation of a class of two-level systems under the action of a periodic time-dependent external field in the situation where the energy difference 2epsilon between the free energy levels is sufficiently small with…
We consider a coupled system of Schr\"odinger equations, arising in quantum mechanics via the so-called time-dependent self-consistent field method. Using Wigner transformation techniques we study the corresponding classical limit dynamics…
We analyze and develop numerical methods for time-harmonic wave scattering in metallic waveguide structures of infinite extent. We show that radiation boundary conditions formulated via projectors onto outgoing modes determine the…
This work deals with the efficient numerical solution of the time-fractional heat equation discretized on non-uniform temporal meshes. Non-uniform grids are essential to capture the singularities of "typical" solutions of time-fractional…
The Fractional Diffusion Equation (FDE) is a mathematical model that describes anomalous transport phenomena characterized by non-local and long-range dependencies which deviate from the traditional behavior of diffusion. Solving this…
The space- and temperature-dependent electron distribution $n(r,T)$ determines optoelectronic properties of disordered semiconductors. It is a challenging task to get access to $n(r,T)$ in random potentials, avoiding the time-consuming…
In this paper, we consider spin-diffusion Landau-Lifshitz-Gilbert equations (SDLLG), which consist of the time-dependent Landau-Lifshitz-Gilbert (LLG) equation coupled with a time-dependent diffusion equation for the electron spin…
We review and further develop the recently introduced numerical approach for scattering calculations based on a so called pseudo-time Schroedinger equation, which is in turn a modification of the damped Chebyshev polynomial expansion…
In this paper, we attack the specific time-dependent Hamiltonian problem H=-{1/2}e^{\Upsilon(t-t_o)}\partial_{xx} +\lfrac{1}{2}\omega^2e^{-\Upsilon(t-t_o)}x^2. This corresponds to a time-dependent mass (TM) Schr\"odinger equation. We give…
We relax the usual diagonal constraint on the matrix representation of the eigenvalue wave equation by allowing it to be tridiagonal. This results in a larger solution space that incorporates an exact analytic solution for the non-central…
Neural network-based solvers for partial differential equations (PDEs) have attracted considerable attention, yet they often face challenges in accuracy and computational efficiency. In this work, we focus on time-dependent PDEs and observe…
Boundary integral methods are attractive for solving homogeneous linear constant coefficient elliptic partial differential equations on complex geometries, since they can offer accurate solutions with a computational cost that is linear or…
The purpose of this work is to test the application of the finite element method to quantum mechanical problems, in particular for solving the Schroedinger equation. We begin with an overview of quantum mechanics, and standard numerical…
We propose a hybridizable discontinuous Galerkin (HDG) finite element method to approximate the solution of the time dependent drift-diffusion problem. This system involves a nonlinear convection diffusion equation for the electron…
We present analytical expressions of momentum-resolved core-level photoemission time delay in a molecular frame of a heteronuclear diatomic molecule upon photoionization by a linearly polarized soft x-rays attosecond pulse. For this…
We consider Bloch states of weak spacetime-periodic perturbations of homogeneous materials in one spatial dimension. The interplay of space- and time-periodicity leads to an infinitely degenerate dispersion relation in the free case. We…
We present a novel theoretical approach to simulate spin, time and angular-resolved photoelectron spectroscopy (ARPES) from first principles that is applicable to surfaces, thin films, few layer systems, and low-dimensional nanostructures.…
The purpose of the present paper is to discuss the time dependent Schr\"odinger equation on a metric graph with time-dependent edge lengths, and the proper way to pose the problem so that the corresponding time evolution is unitary. We show…
Multiple scattering theory is applied to low-energy electron collisions with a complex target formed of two molecular scatterers. The total T-matrix is expressed in terms of the T-matrix for each isolated molecule. We apply the approach to…