Werner Kutzelnigg honorary issue, part 2
M. Horn, P. Botschwina, J. Fluegge
A theoretical investigation of NC_3NC 1
J. Jenderek, C. M. Marian
The performance of energy extrapolation procedures in
truncated averaged coupled-pair functionals 13
C. H. Hu, M. Shen, H. F. Schaefer III
Is dodecahedral P_20 special? 29
J. Wang, V. H. Smith Jr.
Statistical electron correlation-coefficients and
-holes in molecules 35
D. Cremer, Z. He
Analysis of coupled cluster methods. IV. Size-extensive
quadratic CI methods - quadratic CI with triple and
quadruple excitations 47
M.Jungen
Algorithm for the four-index transformation of primitive
molecular integrals stored in triples 69
V. G. Zakrzewski, W. von Niessen
Structures, stabilities and adiabatic ionization and
electron affinity energies of small sulfur clusters
S_3-S_5 75
Conference Announcements
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International Discussion Meeting of the Deutsche
Bunsengesellschaft fuer Physikalische Chemie
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Molecular Spectroscopy and Molecular Dynamics -
Theory and Experiment
Grainau, Oberbayern, Hotel am Badersee
28 August to 1 September 1994
An International Conference sponsored by The Deutsche
Forschungsgemeinschaft organized by W. Kutzelnigg, Lehrstuhl
fuer Theoretische Chemie, Universitaet Bochum, M. Quack,
Laboratorium fuer Physikalische Chemie, ETH Zuerich
The conference aims at bringing together theoreticians and
experimentalists interested in the dynamics of molecules as
derived from molecular spectroscopy in order to discuss
problems of particular current interest. Exciting new
developments in experiments on high resolution molecular
spectra and their analysis as well as new theoretical
developments in the calculation of such spectra and the related
time independent and time dependent quantum dynamics of
molecules have lead to new answers but also new questions in
the field of intramolecular kinetics, molecular reaction
dynamics, molecular chaos, and statistical mechanis. The
current Status of the field will be assessed with particular
stress on fundamental aspects and new directions will be sought
for. The meeting allows for invited lectures, contributed
lectures and poster sessions. All sessions will be plenary.
Interested participants should contact: Prof. Dr. Martin Quack,
Laboratorium fuer Physikalische Chemie, ETH Zuerich Zentrum,
CH-8092 Zuerich, Switzerland
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Electronic Structure Methods for Truly Large Systems:
Moving the Frontiers in Quantum Chemistry
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Braunlage (Harz), Germany
August 1-7, 1994
Sponsored by: Deutsche Forschungsgemeinschaft
Ministerium fuer Wissenschaft und Kultur des Landes
Niedersachsen
Directors: K. Jug (Germany), M. C. Zerner (USA)
Advisory Committee: G. Pacchioni (Italy), N. Roesch (Germany),
R.D. Salahub (Canada)
The major goal of the workshop is to get together leading
experts in quantum chemistry on ab inito, density functional,
semiempirical and hybrid methods to report and discuss recent
progress in methodology and application suitable for very large
systems. Participation will be limited to about 60 invited
participants. The program will include invited lectures (35
minutes plus 10 minutes discussion), invited posters and a
panel discussion on the future of quantum chemistry. The
program will cover the following areas: basic formalism,
organic and inorganic compounds, biomolecules, clusters,
solids.
Correspondence to:
Prof. K. Jug, Theoretische Chemie, Universitaet Hannover, Am
Kleinen Felde 30, D-30167 Hannover, Germany, Phone: 0511/762-
5445, Fax: 0511/762-5939, Email: Jug@Theo.Chemie.Uni-
Hannover.D400.DE
Prof. M.C. Zerner, Department of Chemistry, University of
Florida, Gainesville, Florida 32611, USA, Phone: 0943920541,
Fax: 9043928758, Email: Zerner@qtp.ufl.edu
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