相关论文: Solution of the Schr\"odinger equation using exter…
We study the suppression of reflections in the numerical simulation of the time-dependent Schr\"odinger equation for strong-field problems on a grid using exterior complex scaling (ECS) as absorbing boundary condition. It is shown that the…
We present an approach to numerically solving the time-dependent Schroedinger equation and other parabolic equations by the split-step technique with fast Fourier transform, which suppresses the backreflection of waves from the grid…
We present a parallel version of the well-known Split-Step Fourier method (SSF) for solving the Nonlinear Schr\"odinger equation, a mathematical model describing wave packet propagation in fiber optic lines. The algorithm is implemented…
The Schr\"odinger equation in the presence of an external electromagnetic field is an important problem in computational quantum mechanics. It also provides a nice example of a differential equation whose flow can be split with benefit into…
A global solution of the Schr\"odinger equation for explicitly time-dependent Hamiltonians is derived by integrating the non-linear differential equation associated with the time-dependent wave operator. A fast iterative solution method is…
Spectral methods for solving partial differential equations (PDEs) and stochastic partial differential equations (SPDEs) often use Fourier or polynomial spectral expansions on either uniform and non-uniform grids. However, while very widely…
We introduce and analyze various Regularized Combined Field Integral Equations (CFIER) formulations of time-harmonic Navier equations in media with piece-wise constant material properties. These formulations can be derived systematically…
In his monograph Chebyshev and Fourier Spectral Methods, John Boyd claimed that, regarding Fourier spectral methods for solving differential equations, ``[t]he virtues of the Fast Fourier Transform will continue to improve as the relentless…
We propose a Fourier pseudo-spectral scheme for the space-fractional nonlinear Schr\"odinger equation. The proposed scheme has the following features: it is linearly implicit, it preserves two invariants of the equation, its unique…
We present efficient and accurate numerical methods for computing the ground state and dynamics of the nonlinear Schr\"odinger equation (NLSE) with nonlocal interactions based on a fast and accurate evaluation of the long-range interactions…
The time-dependent Schr\"odinger equation (TDSE) in real space is fundamental to understanding the dynamics of many-electron quantum systems, with applications ranging from quantum chemistry to condensed matter physics and materials…
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…
Short-time filtering of the photoionization amplitude extracted straight from the numerical solution of the time-dependent Schr\"{o}dinger equation (TDSE) is used to identify dominant pathways that form photoelectron spectra in strong…
A method is proposed for extracting ionization amplitudes from the solution of the time-dependent Schr\"odinger equation (TDSE) describing a system in a time-dependent external field. The method is a hybrid of two earlier developed methods,…
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…
It is shown that exterior complex scaling provides for complete absorption of outgoing flux in numerical solutions of the time-dependent Schr\"odinger equation with strong infrared fields. This is demonstrated by computing high harmonic…
We introduce a numerical method for the solution of the time-dependent Schrodinger equation with a smooth potential, based on its reformulation as a Volterra integral equation. We present versions of the method both for periodic boundary…
In this work we present the theoretical framework for the solution of the time-dependent Schr\"{o}dinger equation (TDSE) of atomic and molecular systems under strong electromagnetic fields with the configuration space of the electron's…
Strong field ionization is difficult to treat theoretically due to the simultaneous need to treat bound state dynamics accurately and continuum dynamics efficiently. We address this problem by decomposing the time dependent Schroedinger…
In this paper we explain how to use the Fast Fourier Transform (FFT) to solve partial differential equations (PDEs). We start by defining appropriate discrete domains in coordinate and frequency domains. Then describe the main limitation of…