Rovibrational Bound States
in Polyatomic Molecules

Edited by

Mark M. Law, Ian A. Atkinson

Department of Chemistry, University of Aberdeen, Aberdeen, AB24 3UE, United Kingdom

and Jeremy M. Hutson

Department of Chemistry, University of Durham, Durham, DH1 3LE, United Kingdom

Published by
Collaborative Computational Project on Heavy Particle Dynamics (CCP6),
Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, United Kingdom

Suggested Dewey classification: 539.6
ISBN 0-9522736-6-7
©CCP6 1999

Order a copy of the booklet.

• Preface

• What is CCP6?

• Rovibrational energy levels of 3- and 4-atom molecules
  Nicholas C. Handy
• Variational calculations on symmetric pentatomic molecules: stretching vibrations of methane
  Jonathan Tennyson and Junkai Xie
• Kinetic energy operators for general polyatomic molecules and their
  application to four-atom systems
  Mirjana Mladenovic
• A comparison of iterative methods for calculating energy levels
  Shi-Wei Huang and Tucker Carrington Jr.
• Adiabatic contraction of molecular bases
  Alexandra Viel and Claude Leforestier
• Spectral transformation and filter diagonalization
  Hua-Gen Yu and Gunnar Nyman
• Vibrational energy level calculations with internal coordinate Hamiltonian models
  Lauri Halonen
• High-resolution full and half collision studies of intermolecular potentials
  David J. Nesbitt
• From intermolecular forces to condensed phase spectroscopy: ro-vibrational spectroscopy inside superfluid nanodroplets
  C. Callegari, A. Conjusteau, I. Reinhard, K. K. Lehmann, and G. Scoles
• Effects of internal motions in Van der Waals complexes: Ar-CH and the water trimer as examples
  Ad van der Avoird and Paul E. S. Wormer
• `MULTIMODE': a code to calculate rovibrational energies and wavefunctions of polyatomic molecules
  Stuart Carter and Joel M. Bowman
• Diffusion Monte Carlo simulation of weakly-bound molecular clusters
  David C. Clary
• The vibrational self-consistent field (VSCF) method for calculating vibrational energies
  Nicholas J. Wright, Galina M. Chaban, Joon O. Jung and R. Benny Gerber
• Intermolecular potential energy surfaces for bound-state calculations
  Jeremy M. Hutson
• About this document ...

Back to conference page If you have any queries mail me: m.m.law@abdn.ac.uk.