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Gauss-Hermite wave packet dynamics: convergence of the spectral and pseudo-spectral approximation. (English) Zbl 1183.65111

Authors’ summary: The time-dependent linear Schrödinger equation for nuclei on the whole space is semidiscretized using Hermite and Gauss-Hermite basis functions. These are well suited, on the one hand, for the conservation properties of the numerical solution and, on the other hand, for their remarkable approximation properties. We investigate theoretically and numerically the convergence of the spectral and pseudo-spectral Gauss-Hermite semidiscretization schemes.

MSC:

65M20 Method of lines for initial value and initial-boundary value problems involving PDEs
65M70 Spectral, collocation and related methods for initial value and initial-boundary value problems involving PDEs
35Q40 PDEs in connection with quantum mechanics
81Q05 Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics
65M12 Stability and convergence of numerical methods for initial value and initial-boundary value problems involving PDEs