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Advances in Chemical Physics, Volume 163
K. Birgitta Whaley (Edited by), KB Whaley (Author), Stuart A. Rice (Series edited by), Aaron R. Dinner (Series edited by)
9781119374992, Wiley
Hardback, published 21 August 2018
352 pages
23.1 x 15.2 x 2.5 cm, 0.748 kg
The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline.
• This is the only series of volumes available that presents the cutting edge of research in chemical physics
• Includes 10 contributions from leading experts in this field of research
• Contains a representative cross-section of research in chemical reaction dynamics and state of the art quantum description of intramolecular and intermolecular dynamics
• Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry, chemical physics, or molecular physics
List of Contributors Volume 163 ix Foreword xi Preface to the Series xiii Applications of Quantum Statistical Methods to the Treatment of Collisions 1 Quantum Dynamics in Photodetachment of Polyatomic Anions 45 Recent Advances in Quantum Dynamics Studies of Gas-Surface Reactions 77 Quantum Scattering and Semiclassical Transition State Theory Calculations on Chemical Reactions of Polyatomic Molecules in Reduced Dimensions 117 Adiabatic Switching Applied to the Vibrations of syn-CH3CHOO and Implications for “Zero-Point Leak” and Isomerization in Quasiclassical Trajectory Calculations 151 Inelastic Charge-Transfer Dynamics in Donor–Bridge–Acceptor Systems Using Optimal Modes 167 Coupled Translation–Rotation Dynamics of H2 and H2O Inside C60: Rigorous Quantum Treatment 195 Using Iterative Eigensolvers to Compute Vibrational Spectra 217 Large Scale Exact Quantum Dynamics Calculations: Using Phase Space to Truncate the Basis Effectively 245 Phase-Space Versus Coordinate-Space Methods: Prognosis for Large Quantum Calculations 273 Index 325
Paul J. Dagdigian and Millard H. Alexander
Jianyi Ma and Hua Guo
Xiangjian Shen and Dong H. Zhang
Samuel M. Greene, Xiao Shan, and David C. Clary
Chen Qu, Apurba Nandi, and Joel M. Bowman
Xunmo Yang, Andrey Pereverzev, and Eric R Bittner
Zlatko Bacic, Minzhong Xu, and Peter M. Felker
Tucker Carrington Jr.
Bill Poirier
David Tannor, Shai Machnes, Elie Assémat, and Henrik R. Larsson
Subject Areas: Chemistry [PN]
