The Journal of Physical Chemistry A, 1999 V 103, N 47, 25 November.

TIME-DEPENDENT QUANTUM MOLECULAR DYNAMICS


ARTICLES


9383-9383
Workshop on Time-Dependent Quantum Molecular Dynamics 

9384-9387
Generalization of the Linearized Approximation to the 
Semiclassical Initial Value Representation for Reactive Flux Correlation
Functions  
William H. Miller 

9388-9398
A Direct Transition State Theory Based Study of Methyl Radical 
Recombination Kinetics 
Stephen J. Klippenstein, Lawrence B. Harding 

9399-9407
Improvement of the Internal Consistency in Trajectory Surface Hopping 
Jian-Yun Fang and Sharon Hammes-Schiffer 

9408-9416
Time-Domain and Tunneling Pictures of Nonadiabatic Induced 
Electron Ejection in Molecular Anions 
Jack Simons 

9417-9422
Short-Range Coherence in the Energy Transfer of Photosynthetic 
Light-Harvesting Systems 
Jonaki Ray, Nancy Makri 

9423-9431
Electron Dynamics in Dendrimers 
T. Sean Elicker and Deborah G. Evans 

9432-9447
Computer Simulation of the Excited State Dynamics of Betaine-30 in 
Acetonitrile 
John Lobaugh and Peter J. Rossky 

9448-9459
Quantum Wave Packet Study of Nonadiabatic Effects in 
O(1D) + H2  OH + H  
Stephen K. Gray, Carlo Petrongolo, Karen Drukker and George C. Schatz 

9460-9468
Electronic Coherence in Mixed-Valence Systems:  Spectral Analysis 
Younjoon Jung, 
Robert J. Silbey, and Jianshu Cao 

9469-9474
Semiclassical Wave Packet Dynamics with Electronic Structure 
Computed on the Fly:  Application to Photophysics of Electronic Excited
States in Condensed Phase  
Alfredo E. Cárdenas, Roman Krems, and Rob D. Coalson 

9475-9478
Propagation Matrices from the Finite Element Method 
Bjrn R. Jensen and Jan Linderberg 

9479-9486
Forward-Backward Semiclassical Dynamics with Linear Scaling 
Jiushu Shao , Nancy Makri 

9487-9493
Forward-Backward Semiclassical Calculation of Spectral Line Shapes:  
I2 in a Rare Gas Cluster 
Oliver Kühn, Nancy Makri 

9494-9499
Quantum Dynamics and Vibrational Relaxation 
S. A. Egorov, K. F. Everitt, and J. L. Skinner 

9500-9505
On Obtaining Reactive Potential Energy Surfaces from Transition State 
Photodetachment Spectra. I. Sensitivity Analysis 
Ward H. Thompson 

9506-9511
On Obtaining Reactive Potential Energy Surfaces from Transition 
State Photodetachment Spectra. II. Inversion of Spectra in Model Systems 
Ward H. Thompson 

9512-9520
Quantum Molecular Dynamics Simulations of Low-Temperature High 
Energy Density Matter:  Solid p-H2/Li and p-H2/B 
Soonmin Jang, Seogjoo Jang, and Gregory A. Voth 

9521-9526
Dimensional Strategies and the Minimization Problem:  B
arrier-Avoiding Algorithms 
Daniel B. Faken, A. F. Voter, David L. Freeman, and J. D. Doll 

9527-9538
A Modification of Path Integral Quantum Transition State Theory for 
Asymmetric and Metastable Potentials 
Seogjoo Jang, Charles D. Schwieters, and Gregory A. Voth 

9539-9544
Classical Approximation to Nonradiative Electronic Relaxation 
in Condensed Phase Systems 
Eran Rabani, S. A. Egorov, and B. J. Berne 

9545-9551
Toward an ab Initio Treatment of the Time-Dependent Schrö
dinger Equation of Molecular Systems 
Yngve Öhrn and Erik Deumens 

9552-9563
Vibrational Dynamics of the I3 Radical:  
A Semiempirical Potential Surface, and Semiclassical 
Calculation of the Anion
Photoelectron Spectrum  C. J. Margulis, D. A. Horner, 
S. Bonella, and D. F. Coker 



ADDITIONS AND CORRECTIONS


9564-9564
Classical Approximation to Nonradiative Electronic 
Relaxation in Condensed Phase Systems 
Eran Rabani, S. A. Egorov, and B. J. Berne: