Matrix Inverse Free Method for Solving Quantum Electron Dynamics on Unstructured Grid

Abstract

A matrix inverse free method to solve time-dependent Schrodinger equation is presented. The method is not subject to form of Hamiltonian and adopting real space grid system such as structured and unstructured grid, and achieves the order N algorithm even if we adopt unstructured grid systems to adjust complex regions. We have demonstrated some error evaluation problems that have exact solution and application in which it has non-Schrodinger type Hamiltonian, and we have successfully simulated the time-evolution of wave function for all of the case.