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A Time-Dependent Born-Oppenheimer Approximation with Exponentially Small Error Estimates

Mathematical Physics 2009-10-31 v1 math.MP

Abstract

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 ϵ4\epsilon^{-4}, where ϵ\epsilon is a small expansion parameter. By optimal truncation of an asymptotic expansion, we construct approximate solutions to the time-dependent Schr\"odinger equation that agree with exact normalized solutions up to errors whose norms are bounded by \dsCexp(γ/ϵ2)\ds C \exp(-\gamma/\epsilon^2), for some C and γ>0\gamma>0.

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Cite

@article{arxiv.math-ph/0005006,
  title  = {A Time-Dependent Born-Oppenheimer Approximation with Exponentially Small Error Estimates},
  author = {George A. Hagedorn and Alain Joye},
  journal= {arXiv preprint arXiv:math-ph/0005006},
  year   = {2009}
}