Related papers: Time scaling with efficient time-propagation techn…
Wave packets provide a well established and versatile tool for studying time-dependent effects in molecular physics. Here, we demonstrate the application of wave packets to mesoscopic nanodevices at low temperatures. The electronic…
The time-dependent Schr\"odinger equation for atomic hydrogen in few-cycle laser pulses is solved numerically. Introducing a positive definite quantum distribution function in energy-position space, a straightforward comparison of the…
A one-dimensional scattering problem off a $\delta$-shaped potential is solved analytically and the time development of a wave packet is derived from the time-dependent Schr\"odinger equation. The exact and explicit expression of the…
We report the first application of complex symmetric wavelets to the numerical simulation of a nonlinear signal propagation model. This model is the so-called nonlinear Schrodinger equation that describes, for instance, the evolution of the…
We present a very efficient technique for solving the three-dimensional time-dependent Schrodinger equation. Our method is applicable to a wide range of problems where a fullly three-dimensional solution is required, i.e., to cases where no…
The complete solutions of the Schr\"odinger equation for a particle with time-dependent mass moving in a time-dependent linear potential are presented. One solution is based on the wave function of the plane wave, and the other is with the…
In this article, we determine the wave front sets of solutions to time dependent Schr\"odinger equations with a sub-quadratic potential by using the representation of the Schr\"dingier evolution operator via wave packet transform (short…
We present a new dimensional scaling transformation of the Schrodinger equation for the two electron bond. This yields, for the first time, a good description of the two electron bond via D-scaling. There also emerges, in the large-D limit,…
For a molecule, the two-center interference and the molecular scattering phase of the electron are important for almost all the processes that may occur in a laser field. In this study, we investigate their effects in the transfer of linear…
The Schroedinger equation with an energy-dependent complex absorbing potential, associated with a scattering system, can be reduced for a special choice of the energy-dependence to a harmonic inversion problem of a discrete pseudo-time…
In this paper, we determine the wave front set of solutions to the Schr\"{o}dinger equation with time-dependent magnetic fields. We considered time-dependent and `not so small' magnetic fields through the method using the wave packet…
Solving the time-dependent Schr\"odinger equation (TDSE) is pivotal for modeling non-adiabatic electron dynamics, a key process in ultrafast spectroscopy and laser-matter interactions. However, exact solutions to the TDSE remain…
The direct solution of the many-particle Schr\"odinger equation is computationally inaccessible for more than very few electrons. In order to surpass this limitation, one of the authors [X. Oriols, Phys. Rev. Lett. 2007, 98 (066803)] has…
The coherent interaction between free electrons and optical near-fields enables the active modulation of electron wave packets, a mechanism central to photon-induced near-field electron microscopy (PINEM). While existing theories…
The so-called Born-Huang ansatz is a fundamental tool in the context of ab-initio molecular dynamics, viz., it allows to effectively separate fast and slow degrees of freedom and thus treating electrons and nuclei at different mathematical…
A general method for solving numerically the time-dependent Schr\"odinger equation, that is based on the Suzuki-Trotter scheme with the split-step Fourier approach, is introduced. The method relies on a Hamiltonian decomposition, where…
This report discusses two new ideas for using perturbation methods to solve the time-independent Schr\"odinger equation. The first concept begins with rewriting the perturbation equations in a form that is closely related to matrix…
Atomic and molecular breakup reactions, such as multiple-ionisation, are described by a driven Schr\"odinger equation. This equation is equivalent to a high-dimensional Helmholtz equation and it has solutions that are outgoing waves,…
We propose new methods designed to numerically approximate the solution to the time dependent Schr{\"o}dinger equation, based on two types of ansatz: tensors, and approximation by a linear combination of gaussian wave packets. In both…
A propagation method for time-dependent Schr\"odinger equations with an explicitly time-dependent Hamiltonian is developed where time ordering is achieved iteratively. The explicit time-dependence of the time-dependent Schr\"odinger…