Author: Michael Baer
Publisher: Wiley-Interscience
Keywords: conical, intersections, terms, coupling, electronic, nonadiabatic, oppenheimer
Number of Pages: 234
Published: 2006-04-21
List price: $200.00
ISBN-10: 0471778915
ISBN-13: 9780471778912

INTRODUCING A POWERFUL APPROACH TO DEVELOPING RELIABLE QUANTUM MECHANICAL TREATMENTS OF A LARGE VARIETY OF PROCESSES IN MOLECULAR SYSTEMS.The Born-Oppenheimer approximation has been fundamental to calculation in molecular spectroscopy and molecular dynamics since the early days of quantum mechanics. This is despite well-established fact that it is often not valid due to conical intersections that give rise to strong nonadiabatic effects caused by singular nonadiabatic coupling terms (NACTs). In Beyond Born-Oppenheimer, Michael Baer, a leading authority on molecular scattering theory and electr

Authors:Wolfgang Domcke, David R. Yarkony, Horst Koppel,
Publisher: World Scientific Publishing Company
Keywords: advanced, series, physical, chemistry, spectroscopy, amp, intersections, electronic, structure, dynamics, conical
Number of Pages: 838
Published: 2004-10
List price: $274.00
ISBN-10: 9812386726
ISBN-13: 9789812386724

It is widely recognized nowadays that conical intersections of molecular potential-energy surfaces play a key mechanistic role in the spectroscopy of polyatomic molecules, photochemistry and chemical kinetics. This book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical-physics literature. Section I of the book provides a comprehensive analysis of the electronic-structure aspects of conical intersections. Section II shows the importance of conical intersections in chemica

Authors:Sergio Albeverio, Michael Demuth, Elmar Schrohe, Bert
Publisher: Birkhäuser Basel
Keywords: advances, partial, differential, equations, theory, applications, operator, parabolicity, calculus, conical, singularities, volume, volterra
Number of Pages: 358
Published: 2003-01-17
List price: $151.00
ISBN-10: 376436906X
ISBN-13: 9783764369064

This volume highlights the analysis on noncompact and singular manifolds within the framework of the cone calculus with asymptotics. The three papers at the beginning deal with parabolic equations, a topic relevant for many applications. The first article presents a calculus for pseudodifferential operators with an anisotropic analytic parameter. The subsequent paper develops an algebra of Mellin operators on the infinite space-time cylinder. It is shown how timelike infinity can be treated as a conical singularity. In the third text - the central article of this volume - the authors use th