A time-dependent Born-Oppenheimer approximation with exponentially small error estimates.

DOI10.1007/S002200100562MaRDI QIDQ5961003zbMATH OpenOpenAlexFDO

Authors George A. Hagedorn, A. Joye

Publication date 22 April 2002

Published in Communications in Mathematical Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/math-ph/0005006

zbMATH Keywords

molecular systemtime-dependent Schrödinger equationBorn--Oppenheimer expansion parameterexponentially accurate approximate solutions

Mathematics Subject Classification ID

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

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 $epsilo{n}^{-4}$, where $epsilon$ 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 $dsCexp(-gamma/epsilo{n}^2)$, for some C and $gamma>0$.

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