Time-Dependent Quantum Molecular Dynamics, Softcover reprint of the original 1st ed. 1992 NATO Science Series B: Series, Vol. 299

From March 30th to April 3rd, 1992, a NATO Advanced Research workshop entitled "Time Dependent Quantum Molecular Dynamics: Theory and Experiment" was held at Snowbird, Utah. The organizing committee consisted of J. BROECKHOVE (Antwerp, Belgium), L. CEDERBAUM (Heidelberg, Germany), L. LATHOUWERS (Antwerp, Belgium), N. OHRN (Gainesville, Florida) and J. SIMONS (Salt Lake City, Utah). Fifty-two participants from eleven different countries attended the meeting at which thirty-three talks and one poster session were held. Twenty-eight participants submitted contributions to the proceedings of the meeting, which are reproduced in this volume. The workshop brought together experts in different areas 0 f molecular quantum dynamics, all adhering to the time dependent approach. The aim was to discuss and compare methods and applications. The ~amiliarityo~ the aUdience with the concepts o~ time dependent approaches greatly facilitated topical discussions and probing towards new applications. A broad area of subject matter was covered including time resolved laser chemistry, intramolecular dynamics, photodissociation dynamics, reactive and inelastic collisions as well as new time dependent methodologies. This diversity in applications is reflected in the contributions included in this volume .

Variable Time-step Integration for Intense Field Effects.- Adiabatic and Diabatic Basis Sets in Molecular Calculations.- Chemical Dynamics: a Periodic Orbits Approach.- Classical and Quantum Mechanics of the Driven Double Well.- Wave Packet Dynamics of Resonances in Unimolecular Dissociation.- Transition Region Dynamics of the Reaction K+NaCl+hv?KCl+Na*.- Femtosecond Wave-packet Dynamics on Strongly Coupled Potential Energy Surfaces.- Pseudospectral Methods for Solving the Time Dependent Schrödinger Equation.- Distributed Approximating Functions for Real-time Quantum Dynamics.- Wave Packet Studies of the Predissociation of H3.- Time-dependent Dynamics of an Atom in an Intense Laser Field.- Time-dependent Treatment of Reactive and Dissociative Collisions: a Coupled-arrangement-channel Method.- Intramolecular Dynamics.- Discrete Variable Representations in Quantum Dynamics.- Comment on Time-dependent Formulations of Quantum Mechanics.- Real Time Path Integrals with Quasi-adiabatic Propagators: Quantum Dynamics of a System Coupled to a Harmonic Bath.- Femtosecond Spectroscopy of Retinal Proteins.- Approximate Methods for Time Evolution of Wave Packets.- Electronic Energy and Charge Transfer in Slow Atomic Collisions: a Time-dependent Molecular Orbital Approach.- Cumulative and State-to-state Reaction Probabilities via a Discrete Variable Representation — Absorbing Boundary Condition Green’s Function.- Time Evolution of Electrons and Nuclei in Molecular Systems.- Time Dependent Intramolecular Quantum Dynamics from High Resolution Spectroscopy and Laser Chemistry.- Molecular Model of Fast Atomic Collisions.- Control of Photochemical Branching: Novel Procedures for Finding Optimal Pulses and Global Upper Bounds.- Time Dependent Quantum Molecular Dynamics: Experimentsand Theory.- An Analytic Discrete Variable Representation for the Coulomb Problem.- A Mechanism for Ultrafast Dynamics in Curve Crossing Systems.- Time Dependent Quantum Mechanics with Correlated Coherent States.- Contributors.