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

DOI10.1007/S002200100562zbMATH Open1161.81376arXivmath-ph/0005006OpenAlexW2017276053MaRDI QIDQ5961003FDOQ5961003

A. Joye, George A. Hagedorn

Publication date: 22 April 2002

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

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 $gamma>0$.

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

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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)

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