Chemical Physics, 2004, V 304, N 1-2, September.

 
Towards Multidimensional Quantum Reaction Dynamics
Edited by O. Kuhn, J. Manz and W.H. Miller 

1.    Preface  ; 
 O. Kuhn, J. Manz and W. H. Miller
 Pages 1-2 
 
2.   
 Intramolecular vibrational energy redistribution
 in toluene: a nine-dimensional quantum
 mechanical study using the MCTDH algorithm  ; 
 Fabien Gatti and Hans-Dieter Meyer
 Pages 3-15 
 
3.   
 Multimode Jahn;Teller and pseudo-Jahn;Teller
 coupling effects in the photoelectron spectrum of CH3F  ; 
 S. Mahapatra, V. Vallet, C. Woywod, H. Koppel and W. Domcke
 Pages 17-34
 
4.   
 Multi-mode;multi-state quantum dynamics of key
 five-membered heterocycles: spectroscopy 
 and ultrafast internal conversion  ; 
 H. Koppel, E. V. Gromov and A. B. Trofimov
 Pages 35-49
 
5.   
 Massively parallel Hamiltonian action in pseudospectral
 algorithms applied to quantum dynamics
 of laser induced desorption  ; 
 S. Borowski and T. Kluner
 Pages 51-58 
 
6.   
 Performance and application of a symmetry adapted
 pseudo spectral method for scattering of a diatomic
 molecule from a square surface: H2 + Cu(1 0 0)  ; 
 M. F. Somers, D. Lemoine and G. J. Kroes
 Pages 59-77 
 
7.   
 Multi-arrangement quantum dynamics in 6D: cis;trans
 isomerization and 1,3-hydrogen transfer in HONO  ; 
 David Luckhaus
 Pages 79-90
 
8.   
 Ultrafast wave packet dynamics of an intramolecular
 hydrogen transfer system: from vibrational
 motion to reaction control  ; 
 M. Petkovi and O. Kuhn
 Pages 91-102 
 
9.   
 The phase space CCS approach to quantum and
 semiclassical molecular dynamics for high-dimensional systems  ; 
 Dmitrii V. Shalashilin and Mark S. Child
 Pages 103-120 
 
10.   
 Semiclassical simulation of absorption spectra for a
 chromophore coupled to an anharmonic bath  ; 
 Haobin Wang and Michael Thoss
 Pages 121-131
 
11.   
 Excited state direct dynamics of benzene with 
 reparameterized multi-reference semiempirical
 configuration interaction methods  ; 
 A. Toniolo, Alexis L. Thompson and Todd J. Martinez
 Pages 133-145 
 
12.   
 Forward;backward semiclassical dynamics
 for systems of indistinguishable ps  ; 
 Akira Nakayama and Nancy Makri
 Pages 147-158 
 
13.   
 A hybrid quantum/classical correlation function
 approach to surface diffusion  ; 
 Toshiaki Taniike and Koichi Yamashita
  Pages 159-168
 
14.   
 Theoretical study of ultrafast heterogeneous electron
 transfer reactions at dye;semiconductor interfaces  ; 
 Michael Thoss, Ivan Kondov and Haobin Wang
 Pages 169-181 
 
15.   
 Time-dependent variational approach to
 molecules in strong laser fields  ; 
 Thomas Kreibich, Robert van Leeuwen
 and E. K. U. Gross
 Pages 183-202
 
16.   
 Quantum mechanical study of electronic and nuclear
 dynamics of molecules in intense laser fields  ; 
 Hirohiko Kono, Yukio Sato, Nobuyuki Tanaka, 
 Tsuyoshi Kato, Katsunori Nakai, Shiro Koseki 
 and Yuichi Fujimura
 Pages 203-226 
 
17.   
 Application of the nuclear;electronic orbital method
 to hydrogen transfer systems: multiple centers
 and multiconfigurational wavefunctions  ; 
 Michael V. Pak, Chet Swalina, Simon P. Webb
 and Sharon Hammes-Schiffer
 Pages 227-236 
 
18.   
 Editorial board  ; 
 Page CO2