Numerical simulation apparatus for time dependent schrodinger equation

摘要

To provide a numerical simulation apparatus capable of executing a numerical simulation with high speed and precision by reducing computational complexity. A numerical simulation apparatus (100) that executes a numerical simulation using a wave function which is a solution of a time dependent Schrödinger equation includes: a real time evolution calculation unit (106) that calculates a second wave function while evolving the second wave function from an initial time in increments of a predetermined time period, the second wave function being obtained by applying a central difference approximation in a real-space finite-difference method to a first wave function expressed using a propagator, and being expressed using a Bessel function; and a calculation result storage unit (108) that stores a calculation result of the second wave function obtained at each time by the time evolution calculation unit (106) while evolving the second wave function in increments of the predetermined time period.