Related papers: Time scaling with efficient time-propagation techn…
We present a detailed analysis of the time scaled coordinate approach and its implementation for solving the time-dependent Schr\"odinger equation describing the interaction of atoms or molecules with radiation pulses. We investigate and…
Transport and scattering phenomena in open quantum-systems with a continuous energy spectrum are conveniently solved using the time-dependent Schrodinger equation. In the time-dependent picture, the evolution of an initially localized…
We present a program to simulate the dynamics of a wave packet interacting with a time-dependent potential. The time-dependent Schr\"odinger equation is solved on a one-, two-, or three-dimensional spatial grid using the split operator…
A detailed exposition of highly efficient and accurate method for the propagation of the time-dependent Schr\"odinger equation is presented. The method is readily generalized to solve an arbitrary set of ODE's. The propagation is based on a…
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…
A method of solving the time-dependent Schr\"odinger equation is presented, in which a finite region of space is treated explicitly, with the boundary conditions for matching the wave-functions on to the rest of the system replaced by an…
A simple and explicit technique for the numerical solution of the two-particle, time-dependent Schr\"{o}dinger equation is assembled and tested. The technique can handle interparticle potentials that are arbitrary functions of the…
An analytical approach to quantum mechanical wave packet dynamics of laser-driven particles is presented. The time-dependent Schroedinger equation is solved for an electron exposed to a linearly polarized plane wave of arbitrary shape. The…
We discuss double ionization of atoms in strong laser pulses using a reduced dimensionality model. Following the insights obtained from an analysis of the classical mechanics of the process, we confine each electron to move along the lines…
We introduce the time-dependent restricted active space Configuration Interaction method to solve the time-dependent Schr\"odinger equation for many-electron atoms, and particularly apply it to the treatment of photoionization processes in…
To solve the time-dependent Schr\"odinger equation in spatially inhomogeneous pulses of electromagnetic radiation, we propose an iterative semi-classical complex trajectory approach. In numerical applications, we validate this method…
We present a stochastic method for solving the time-dependent Schr\"odinger equation, generalizing a ground-state full configuration interaction Quantum Monte Carlo method. By performing the time-integration in the complex plane close to…
Over the last three decades numerous numerical methods for solving the time-dependent Schr\"{o}dinger equation within the single-active electron approximation have been developed for studying ionization of atomic targets exposed to an…
We show that a pseudospectral representation of the wavefunction using multiple spatial domains of variable size yields a highly accurate, yet efficient method to solve the time-dependent Schr\"odinger equation. The overall spatial domain…
A propagator for the one dimensional time-dependent Schr\"odinger equation with an asymmetric rectangular potential is obtained using the multiple-scattering theory approach. It allows for the consideration of the reflection and…
Linear combinations of complex gaussian functions, where the linear and nonlinear parameters are allowed to vary, are shown to provide an extremely flexible and effective approach for solving the time-dependent Schr\"odinger equation in one…
A review of some recently developed methods of calculating multiple differential cross-sections of photoionization and electron impactionization of atoms and molecules having two active electrons is presented. The methods imply original…
While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical…
In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…
A propagation method for the time dependent Schr\"odinger equation was studied leading to a general scheme of solving ode type equations. Standard space discretization of time-dependent pde's usually results in system of ode's of the form…