Description
Book SynopsisThe 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
Table of ContentsList of Contributors Volume 163 ix
Foreword xi
Preface to the Series xiii
Applications of Quantum Statistical Methods to the Treatment of Collisions 1
Paul J. Dagdigian and Millard H. Alexander
Quantum Dynamics in Photodetachment of Polyatomic Anions 45
Jianyi Ma and Hua Guo
Recent Advances in Quantum Dynamics Studies of Gas-Surface Reactions 77
Xiangjian Shen and Dong H. Zhang
Quantum Scattering and Semiclassical Transition State Theory Calculations on Chemical Reactions of Polyatomic Molecules in Reduced Dimensions 117
Samuel M. Greene, Xiao Shan, and David C. Clary
Adiabatic Switching Applied to the Vibrations of syn-CH3CHOO and Implications for “Zero-Point Leak” and Isomerization in Quasiclassical Trajectory Calculations 151
Chen Qu, Apurba Nandi, and Joel M. Bowman
Inelastic Charge-Transfer Dynamics in Donor–Bridge–Acceptor Systems Using Optimal Modes 167
Xunmo Yang, Andrey Pereverzev, and Eric R Bittner
Coupled Translation–Rotation Dynamics of H2 and H2O Inside C60: Rigorous Quantum Treatment 195
Zlatko Bacic, Minzhong Xu, and Peter M. Felker
Using Iterative Eigensolvers to Compute Vibrational Spectra 217
Tucker Carrington Jr.
Large Scale Exact Quantum Dynamics Calculations: Using Phase Space to Truncate the Basis Effectively 245
Bill Poirier
Phase-Space Versus Coordinate-Space Methods: Prognosis for Large Quantum Calculations 273
David Tannor, Shai Machnes, Elie Assémat, and Henrik R. Larsson
Index 325
