Time-Dependent Quantum Molecular Dynamics

ISBN-13: 9781489923288 / Angielski / Miękka / 2013 / 428 str.

J. Broeckhove; L. Lathouwers

Opis

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 .

Spis treści

Variable Time-Step Integration for Intense Field Effects; C. Cerjan, R. Kosloff. Adiabatic and Diabatic Basis Sets in Molecular Calculations; R. Cimiraglia. Classical and Quantum Mechanics of the Driven Double Well; D. Farelly, J.A. Milligan. Wave Packet Dynamics of Resonances in Unimolecular Dissociation; S.K. Gray. Distributed Approximating Functions for Real-Time Quantum Dynamics; D.J. Kouri. Time-Dependent Dynamics of an Atom in an Intense Laser Field; K.C. Kulander, et al. Intramolecular Dynamics; F. Remacle, R.D. Levine. Discrete Variable Representations in Quantum Dynamics; J.C. Light. Comment on Time-Dependent Formulations of Quantum Dynamics; J. Linderberg. Femtosecond Spectroscopy of Retinal Proteins; L.A. Peteanu, et al. Approximate Methods for Time Evolution of Wave Packets; H.D. Meyer, et al. Time Evolution of Electrons and Nuclei in Molecular Systems; Y. Ohrn, et al. 16 additional articles. Index.