Modified Energy for Split-Step Methods Applied to the Linear Schrödinger Equation
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PDEs in connection with quantum mechanics (35Q40) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15) Error bounds for initial value and initial-boundary value problems involving PDEs (65M15) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)
Abstract: We consider the linear Schr"odinger equation and its discretization by split-step methods where the part corresponding to the Laplace operator is approximated by the midpoint rule. We show that the numerical solution coincides with the exact solution of a modified partial differential equation at each time step. This shows the existence of a modified energy preserved by the numerical scheme. This energy is close to the exact energy if the numerical solution is smooth. As a consequence, we give uniform regularity estimates for the numerical solution over arbitrary long time
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