Kurzbeschreibung Calculations in spectroscopy and molecular dynamics often rely on an approximation (Born-Oppenheimer) that too often leads to unreliable results. This book addresses this deficiency by reconsidering, both analytically and numerically, the non-adiabatic coupling term and the resulting equation of motion, bringing to the reader a deeper understanding of non-adiabatic transitions in molecules. This is the first book to cover the topic in this manner.
Aus dem Inhalt I. Mathematical Introduction.
II. The Born-Oppenheimer Approach: The Diabatization and the Topological Matrix.
III. Model Studies.
IV. Studies of Molecular Systems.
V. The Degeneracy Points as Poles.
VI. The Molecular Field.
VII. The Open Phase and the Berry Phase for Molecular Systems.
