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

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 $ε^{-4}$, where $ε$ 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 $\ds C \exp(-γ/ε^2)$, for some C and $γ>0$.