The book "Computational Molecular Spectroscopy," edited by Per Jensen
and Philip R. Bunker, was published in the United Kingdom on September
7, 2000 by John Wiley & Sons (ISBN 0-471-48998-0).
The table of contents, the foreword by Dennis Salahub, and the preface
are available at http://www.chem.uni-wuppertal.de/cms/
The book has 670 pages and costs GBP 120.
For ordering information, see http://www.wiley.co.uk or contact the
Physical Sciences Department of John Wiley & Sons by emailing
[log in to unmask] or by faxing +44 (0) 1243 770154.
CONTENTS
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PART 1. INTRODUCTION
1. The Born-Oppenheimer approximation
Philip R. Bunker and Per Jensen
PART 2. ELECTRONIC STATES
2. Ab initio determination of accurate ground electronic state
potential energy hypersurfaces for small molecules
Attila G. Csaszar, Wesley D. Allen, Yukio Yamaguchi
and Henry F. Schaefer III
3. Symmetry adapted perturbation theory applied to the computation of
intermolecular forces
Robert Moszynski, Paul E. S. Wormer and Ad van der Avoird
4. The structure and electronic states of transition-metal
molecules and cluster compounds by means of DFT calculations and
ZEKE spectroscopy
Attila Berces, Marek Z. Zgierski and Dong Sheng Yang
5. Ab initio calculations of excited state potential functions
Robert J. Buenker, Gerhard Hirsch, Yan Li, Jian-ping Gu, Aleksey B.
Alekseyev, Heinz-Peter Liebermann and Mineo Kimura
6. Relativistic effects in the calculation of electronic energies
Bernd Artur Hess and Christel Maria Marian
7. The ab initio calculation of molecular properties other than the
potential energy surface
Stephan P. A. Sauer and Martin J. Packer
PART 3. ROTATION-VIBRATION STATES
8. Perturbation theory, effective Hamiltonians and force constants.
Kamil Sarka and Jean Demaison
9. Variational calculations of rotation-vibration spectra
Jonathan Tennyson
10. Highly excited states and local modes
Lauri Halonen
11. The vibrational self-consistent field approach and extensions:
Method and applications to spectroscopy of large molecules and
clusters
R. Benny Gerber and Joon O. Jung
12. The calculation of rotation-vibration energies for molecules
with large amplitude vibrations
Jan Makarewicz
13. Rearrangements and tunneling splittings of small water clusters
David J. Wales
PART 4. ROVIBRONIC STATES AND THE BREAKDOWN OF THE BORN-OPPENHEIMER
APPROXIMATION
14. Vibronic energies and the breakdown of the Born-Oppenheimer
Approximation in diatomic molecules: Adiabatic and diabatic
representations
David R. Yarkony
15. The Renner effect
Per Jensen, Gerald Osmann and Philip R. Bunker
16. The Renner-Teller effect: The effective Hamiltonian approach
John M. Brown
17. Spin-orbit coupling and the Jahn-Teller effect: Vibronic and
spin-vibronic angular momenta
Timothy A. Barckholtz and Terry A. Miller
PART 5. DYNAMICS
18. Semiclassical resonance approximations and wavepacket techniques
Mark S. Child
19. Forming superposition states
Tamar Seideman
20. Ab initio molecular dynamics
John S. Tse and Roger Rousseau
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Information about the second edition of ``Molecular Symmetry and Spectroscopy''
by Philip R. Bunker and PJ can be obtained from
http://www.cisti.nrc.ca/cisti/journals/41653
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posted by
Per Jensen ([log in to unmask]) and
Philip R. Bunker ([log in to unmask])
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