num_pages: 130
description: This largely self-contained book provides a thorough discussion of the mathematics of molecular dynamics and fills a gap in the theoretical knowledge of the subject. Most knowledge of molecular propagation is derived from the time-dependent Born-Oppenheimer approximation. This approximation breaks down at electron energy level crossings, which are prevalent in molecular systems. Hagedorn classifies generic, minimal multiplicity level crossings and derives a normal form for the electron Hamiltonian near each type of crossing. He then extends the time-dependent Born-Oppenheimer approximation to accommodate the propagation of nuclei through each type of electron energy level crossing.
language: English
title: Molecular Propagation Through Electron Energy Level Crossings
titlecomplete: Molecular Propagation Through Electron Energy Level Crossings (Memoirs of the American Mathematical Society)
publisher: Amer Mathematical Society