We recently organised a CCP6 Workshop on "Rovibrational Bound States
in Polyatomic Molecules". CCP6 has now published a booklet containing short
reviews by the Workshop participants, and single copies of this are available
free of charge (until we run out).
Copies will be sent out automatically to the Workshop participants and
everyone on the CCP6 Newsletter mailing list (the latter should have received
the January 1999 edition of the CCP6 Newsletter earlier this year).
If you are not in either of the above groups and you would like a copy,
please either:
1) Fill in the form on the Web at
http://www.abdn.ac.uk/~che194/research/rovib99/bk/form.html
or
2) Send email to [log in to unmask], including
your _postal_ address in a format that can easily be cut-and-pasted
to an address label.
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An electronic version of the booklet, which is in HTML and therefore
loses some of the pretty formatting of the paper version, is available
at http://www.abdn.ac.uk/~che194/research/rovib99/bk/web.html
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Rovibrational Bound States in Polyatomic Molecules,
edited by M. M. Law, I. A. Atkinson and Jeremy M. Hutson,
published by CCP6, Daresbury, 1999.
ISBN 0-9522736-6-7
Contents:
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</A>
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-CH4
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
+---------------------------------------------------------------------+
+ Dr. M. M. Law +
+ +
+ Chemistry Department Tel 01224 272933 (direct) +
+ University of Aberdeen Tel 01224 272943 (secretary) +
+ Meston Walk Fax 01224 272921 +
+ Old Aberdeen e-mail: [log in to unmask] +
+ AB24 3UE +
+ +
+ World-Wide Web home page: http://www.abdn.ac.uk/~che194/ +
+---------------------------------------------------------------------+
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