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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 present an efficient and accurate grid method for solving the time-dependent Schr\"{o}dinger equation of atomic systems interacting with intense laser pulses. As usual, the angular part of the wave function is expanded in terms of…
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 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…
We prove in this paper that the solution of the time-dependent Schr{\"o}dinger equation can be expressed as the solution of a global space-time quadratic minimization problem that is amenable to Galerkin time-space discretization schemes,…
In a previous publication [J. Chem. Phys., 161, 044105 (2024)], it has been shown that Rothe's method can be used to solve the time-dependent Schr\"odinger equation (TDSE) for the hydrogen atom in a strong laser field using time-dependent…
A variationally improved Sturmian approximation for solving time-independent Schr\"odinger equation is developed. This approximation is used to obtain the energy levels of a quartic anharmonic oscillator, a quartic potential, and a Gaussian…
Grid-based discretizations of the time dependent Schr\"odinger equation coupled to an external magnetic field are converted to manifest gauge invariant discretizations. This is done using generalizations of ideas used in classical lattice…
This paper introduces weighted finite difference methods for numerically solving dispersive evolution equations with solutions that are highly oscillatory in both space and time. We consider a semiclassically scaled cubic nonlinear…
The purpose of this document is to describe the solution and implementation of the time-independent and time-dependent Schr\"odinger using pseudospectral methods. Currently, the description is for single particle systems interacting with a…
We obtain time dependent $q$-Gaussian wave-packet solutions to a non linear Schr\"odinger equation recently advanced by Nobre, Rego-Montero and Tsallis (NRT) [Phys. Rev. Lett. 106 (2011) 10601]. The NRT non-linear equation admits plane…
We present a space-time ultra-weak discontinuous Galerkin discretization of the linear Schr\"odinger equation with variable potential. The proposed method is well-posed and quasi-optimal in mesh-dependent norms for very general discrete…
In this paper, we propose a numerical method to approximate the solution of the time-dependent Schr\"odinger equation with periodic boundary condition in a high-dimensional setting. We discretize space by using the Fourier pseudo-spectral…
The Finite-Difference Time-Domain (FDTD) method is a well-known technique for the analysis of quantum devices. It solves a discretized Schrodinger equation in an explicitly iterative process. However, the method requires the spatial grid…
We introduce a classical computational method for quantum dynamics that relies on a global-in-time variational principle. Unlike conventional time-stepping approaches, our scheme computes the entire state trajectory over a finite time…
We propose a new method for solving quantum mechanical problems, which combines the flexibility of Gaussian basis set methods with the numerical accuracy of the Fourier method. The method is based on the incorporation of periodic boundary…
We produce an exact solution of the Schr\"odinger equation for the generalized time dependent Swanson oscillator. The system studied is a non-Hermitian setup characterized by time dependent complex coefficients. The exact solution is…
The properties of pulse propagation in a nonlinear fiber including linear damped term added in the usual nonlinear Schr\"odinger equation is analyzed analytically. We apply variational modified approach based on the lagrangian that describe…
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…
The time-dependent generator coordinate method (TDGCM) is a powerful method to study the large amplitude collective motion of quantum many-body systems such as atomic nuclei. Under the Gaussian Overlap Approximation (GOA), the TDGCM leads…