Related papers: On the Numerical Solution of the Exact Factorizati…
Mixed quantum-classical mechanics descriptions are critical to modeling coupled electron-nuclear dynamics, i.e. non-adiabatic molecular dynamics, relevant to photochemical and photophysical processes. We argue that, for polyatomic…
A novel efficient and high accuracy numerical method for the time-fractional differential equations (TFDEs) is proposed in this work. We show the equivalence between TFDEs and the integer-order extended parametric differential equations…
The time evolution is studied for the Landau problem with a general time dependent electric field ${\bf E}(t)$ in a plane perpendicular to the magnetic field. A general and explicit factorization of the time evolution operator is derived…
A mixed quantum-classical approach to simulate the coupled dynamics of electrons and nuclei in nanoscale molecular systems is presented. The method relies on a second order expansion of the Lagrangian in time-dependent density functional…
We present an ab initio approach to solve the time-dependent Schr\"odinger equation to treat electron and photon impact multiple ionization of atoms or molecules. It combines the already known time scaled coordinate method with a new high…
The essence of atomic structure theory, quantum chemistry, and computational materials science is solving the multi-electron stationary Schr\"odinger equation. The Quantum Monte Carlo-based neural network wave function method has surpassed…
Recently, a family of exact force-free electrodynamic (FFE) solutions was given by Brennan, Gralla and Jacobson, which generalizes earlier solutions by Michel, Menon and Dermer, and other authors. These solutions have been proposed as…
We consider the cubic nonlinear Schr\"odinger equation with an exceptional potential. We obtain a sharp time decay for the global in time solution and we get the large time asymptotic profile of small solutions. We prove the existence of…
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…
Understanding the real-time evolution of many-electron quantum systems is essential for studying dynamical properties in condensed matter, quantum chemistry, and complex materials, yet it poses a significant theoretical and computational…
The dynamics of models described by a one-dimensional discrete nonlinear Schr\"odinger equation is studied. The nonlinearity in these models appears due to the coupling of the electronic motion to optical oscillators which are treated in…
Fractional evolution equations lack generally accessible and well-converged codes excepting anomalous diffusion. A particular equation of strong interest to the growing intersection of applied mathematics and quantum information science and…
A new energy-based stochastic extension of the Schrodinger equation for which the wave function collapses after the passage of a finite amount of time is proposed. An exact closed-form solution to the dynamical equation, valid for all…
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…
It is shown how the Canonical Function approach can be used to obtain accurate solutions for the distorted wave problem taking account of direct static and polarisation potentials and exact non-local exchange. Calculations are made for…
We develop an approach to solving numerically the time-dependent Schrodinger equation when it includes source terms and time-dependent potentials. The approach is based on the generalized Crank-Nicolson method supplemented with an…
We find exact solutions of the time-dependent Schr\"odinger equation for a family of quasi-exactly solvable time-dependent potentials by means of non-unitary gauge transformations.
The present paper is a numerical study of the dynamics of solitary wave solutions of the fractional nonlinear Schr\"{o}dinger equation, whose existence was analyzed by the authors in the first part of the project. The computational study…
The coupling between electrons and phonons plays important roles in physics, chemistry and biology. However, the accurate calculation of the electron-phonon coupling constants is computationally expensive as it involves solving the…
The time-dependent Schrodinger equation of a many particle spin system consisting of an electron in a quantum dot interacting with the spins of the nuclei (N) in the dot due to hyperfine interaction is solved exactly for a given arbitrary…