English

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