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A time-dependent Born-Oppenheimer approximation with exponentially small error estimates. (English) Zbl 1161.81376

Summary: We present the construction of an exponentially accurate time-dependent Born-Oppenheimer approximation for molecular quantum mechanics. We study molecular systems whose electron masses are held fixed and whose nuclear masses are proportional to \(\varepsilon^{-4}\), where \(\varepsilon\) is a small expansion parameter. By optimal truncation of an asymptotic expansion, we construct approximate solutions to the time-dependent Schrödinger equation that agree with exact normalized solutions up to errors whose norms are bounded by \(C\exp(-\gamma/\varepsilon^2)\), for some \(C\) and \(\gamma >0\).

MSC:

81Q05 Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics
81Q20 Semiclassical techniques, including WKB and Maslov methods applied to problems in quantum theory
81V55 Molecular physics