Multiple Superadiabatic Transitions and Landau-Zener Formulas
Chemical Physics
2018-04-16 v1 Mathematical Physics
math.MP
Quantum Physics
Abstract
We consider nonadiabatic systems in which the classical Born-Oppenheimer approximation breaks down. We present a general theory that accurately captures the full transmitted wavepacket after multiple transitions through either a single or distinct avoided crossings, including phase information and associated interference effects. Under suitable approximations, we recover both the celebrated Landau-Zener formula and standard surface-hopping algorithms. Our algorithm shows excellent agreement with the full quantum dynamics for a range of avoided crossing systems, and can also be applied to single full crossings with similar accuracy.
Keywords
Cite
@article{arxiv.1804.04660,
title = {Multiple Superadiabatic Transitions and Landau-Zener Formulas},
author = {Benjamin D. Goddard and Tim Hurst},
journal= {arXiv preprint arXiv:1804.04660},
year = {2018}
}
Comments
31 pages, 10 figures