Molecular Propagation Through Electron Energy Level Crossings

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.Hagedorn, George A. is the author of 'Molecular Propagation Through Electron Energy Level Crossings' with ISBN 9780821826058 and ISBN 0821826050.