Computational molecular spectroscopy
By: edited by Per Jensen and Philip Bunker
Contributors: Jensen, Per, 1956-; Bunker, Philip R
Publisher: Wiley
Published: 2000
Place of publication: Chichester; New York
Language: eng
Number of pages: 670
Subjects: Quantum chemistry; Molecular spectroscopy; Molecular dynamics
Notes: Includes bibliographical references and index
Table of contents: title: The Born-Oppenheimer approximation / Philip R. Bunker and Per Jensen; title: Ab initio determination of accurate ground electronic state potential energy hypersurfaces for small molecules / Attila G. Császár ... [et al.]; title: Symmetry adapted perturbation theory applied to the computation of intermolecular forces / Robert Moszynski, Paul E.S. Wormer and Ad van der Avoird; title: The structure and electronic states of transition metal molecules and cluster compounds by means of DFT calculations and ZEKE spectroscopy / Attila Bérces, Marek Z. Zgierski and Dong-Sheng Yang; title: Ab initio calculations of excited state potential functions / Robert J. Buenker ... [et al.]; title: Relativistic effects in the calculation of electronic energies / Bernd Artur Hess and Christel Maria Marian; title: The ab initio calculation of molecular properties other than the potential energy surface / Stephan P.A. Sauer and Martin J. Packer; title: Perturbation theory, effective Hamiltonians and force constants / Kamil Sarka and Jean Demaison; title: Variational calculations of rotation-vibration spectra / Jonathan Tennyson; title: Highly excited states and local modes / Lauri Halonen; title: 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; title: The calculation of rotation-vibration energies for molecules with large amplitude vibrations / Jan Makarewicz; title: Rearrangements and tunneling splittings of small water clusters / David J. Wales; title: Vibronic energies and the breakdown of the Born-Oppenheimer approximation in diatomic molecules : adiabatic and diabatic representations / David R. Yarkony; title: The Renner effect / Per Jensen, Gerald Osmann and Philip R. Bunker; title: The Renner-Teller effect : the effective Hamiltonian approach / John M. Brown; title: Spin-orbit coupling and the Jahn-Teller effect : vibronic and spin-vibronic angular momenta / Timothy A. Barckholtz and Terry A. Miller; title: Semiclassical resonance approximations and wavepacket techniques / Mark S. Child; title: Forming superposition states / Tamar Seideman; title: Ab initio molecular dynamics / John S. Tse and Roger Rousseau