Advances in Quantum Chemistry

Manifestations of Vibronic Coupling in Chemistry and Physics

Edited by

  • Arnout Ceulemans, Katholieke Universiteit Leuven, Leuven, Belgium
  • Liviu Chibotaru, Katholieke Universiteit Leuven, Leuven, Belgium
  • Eugene Kryachko, Katholieke Universiteit Leuven, Leuven, Belgium AND Bogoliubov Institute for Theoretical Physics, Kiev, Ukraine

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
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Quantum chemists, physical chemists.


Book information

  • Published: December 2003
  • ISBN: 978-0-12-034844-2


"Quantum chemistry has emerged as a subject in its own right. The appearance of a review publication which surveys recent achievements in the field is therefore very appropriate and, when it has the quality of this volume, is most welcome."—PROCEEDINGS OF THE PHYSICAL SOCIETY

Table of Contents

Selected contents.A unique Jahn-Teller mechanism of all the symmetry breakings in molecular systems and condensed matter.Icosahedral quarks. Antilinear particle-hole conjugations operators in Jahn -Teller theory. Renner-Teller interaction matrices and Green's function formalism.Tunneling in Jahn-Teller systems and multidimensional WKB approximation.Tunneling path and ground state crossover in linear and quadratic Jahn-Teller systems. Nonadiabatic coupling: general features and relation to molecular properties. Jahn-Teller effect in the excited state: anomalous temperature dependenceof the zero-phonon line.Critical dependence of multiphonon transitions on interaction strengthand temperature.Combined Jahn-Teller and pseudo Jahn-Teller effects in the benzeneradical cation. Vibronic interactions and Jahn-Teller effects in charged hydrocarbons. Cage structure distortion of fullerenes.Vibronic-induced shifts in the optical spectra of doped fullerenes. Vibronic interactions in high nuclearity clusters.Pseudo Jahn-Teller origin of the metastable states in sodium nitroprusside. Jahn-Teller ions in cubic crystals explored through DFT calculations. Analysis of the EPR and Raman scattering of copper(II) doped CaO. Diffusion in concentrated Jahn-Teller systems.Vibronic renormalization of superconductivity gaps in a two-bandmodel of cuprates. Ground state of quantum Jahn-Teller model: selftrapping vs correlated phonon-assisted tunneling.