Springer Chemical Physics

By: David A. Micha (Editor), Irene Burghardt (Editor)

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Hardcover | 26 October 2006

At a Glance

Hardcover
444 Pages

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24.13 x 15.88 x 1.91

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Quantum phenomena are ubiquitous in complex molecular systems - as revealed by many experimental observations based upon ultrafast spectroscopic techniques - and yet remain a challenge for theoretical analysis. The present volume, based on a May 2005 workshop, examines and reviews the state-of-the-art in the development of new theoretical and computational methods to interpret the observed phenomena. Emphasis is on complex molecular processes involving surfaces, clusters, solute-solvent systems, materials, and biological systems. The research summarized in this book shows that much can be done to explain phenomena in systems excited by light or through atomic interactions. It demonstrates how to tackle the multidimensional dynamics arising from the atomic structure of a complex system, and addresses phenomena in condensed phases as well as phenomena at surfaces. The chapters on new methodological developments cover both phenomena in isolated systems, and phenomena which involve the statistical effects of an environment, such as fluctuations and dissipation. The methodology part explores new rigorous ways to formulate mixed quantum-classical dynamics in many dimensions, along with new ways to solve a many-atom Schroedinger equation, or the Liouville-von Neumann equation for the density operator, using trajectories and ideas related to hydrodynamics. Part I treats applications to complex molecular systems, and Part II covers new theoretical and computational methods

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You Can Find This Book In

Non-Fiction Science Physics Quantum Physics & Quantum Mechanics & Quantum Field Theory Science in General Engineering & Technology Mechanical Engineering & Materials Materials Science Nuclear Physics Atomic & Molecular Physics Chemistry Physical Chemistry

Quantum & Theoretical Chemistry

Complex Molecular Phenomena
Condensed Matter and Surface Phenomena
Photoexcitation Dynamics on the Nanoscale	p. 5
Ultrafast Exciton Dynamics in Molecular Systems	p. 31
Exciton and Charge-Transfer Dynamics in Polymer Semiconductors	p. 57
Dynamics of Resonant Electron Transfer in the Interaction Between an Atom and a Metallic Surface	p. 87
From Multidimensional Dynamics to Dissipative Phenomena
Nonadiabatic Multimode Dynamics at Symmetry-Allowed Conical Intersections	p. 113
Non-Markovian Dynamics at a Conical Intersection: Ultrafast Excited-State Processes in the Presence of an Environment	p. 135
Density Matrix Treatment of Electronically Excited Molecular Systems: Applications to Gaseous and Adsorbate Dynamics	p. 165
Quantum Dynamics of Ultrafast Molecular Processes in a Condensed Phase Environment	p. 195
New Methods for Quantum Molecular Dynamics in Large Systems
Semiclassical Methods
Decoherence in Combined Quantum Mechanical and Classical Mechanical Methods for Dynamics as Illustrated for Non-Born-Oppenheimer Trajectories	p. 227
Time-Dependent, Direct, Nonadiabatic, Molecular Reaction Dynamics	p. 245
The Semiclassical Initial Value Series Representation of the Quantum Propagator	p. 259
Mixed Quantum-Classical Statistical Mechanics Methods
Quantum Statistical Dynamics with Trajectories	p. 275
Quantum-Classical Reaction Rate Theory	p. 295
Linearized Nonadiabatic Dynamics in the Adiabatic Representation	p. 321
Quantum Trajectory Methods
Atom-Surface Diffraction: A Quantum Trajectory Description	p. 343
Hybrid Quantum/Classical Dynamics Using Bohmian Trajectories	p. 369
Quantum Hydrodynamics and a Moment Approach to Quantum-Classical Theory	p. 391
Index	p. 423
Table of Contents provided by Ingram. All Rights Reserved.

Springer Chemical Physics

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Hardcover

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