Conceptual Trends in Quantum Chemistry

This volume contains nine substantial contributions from leading scientists which embrace the fundamentals of various aspects of the conceptual development of quantum chemistry. Topics dealt with include the behaviour of molecules in magnetic fields, the long-standing problem of the decoupling of nuclear from electron motion in molecules, the status of density functional theory, and the string model of chemical reactions. New insights are also presented into basic concepts, such as the nature of chemical bonding and molecular structure, the quantum mechanical problem of the phase space; and new trends in the mathematical base of quantum chemistry, such as the methods of hyperspherical harmonics and of the wavelet transform are discussed.
For researchers and graduate students of quantum and theoretical chemistry, quantum mechanics and chemical physics.

Inhalt

Molecules in Magnetic Fields: Fundamental Aspects; P. Schmelcher, L.S. Cederbaum, U. Kappes. The Decoupling of Nuclear from Electronic Motion in Molecules; B.T. Sutcliffe. The Status of Density Functional Theory for Chemical Physics; S.B. Trickey. String Model of Chemical Reactions; A. Tachibana. Molecular Structure--Property Relations. Three Remarks on Reactivity Indices; G. Del Re, A. Peluso. Hyperspherical Harmonics; Some Properties and Applications; J. Avery. The Nature of the Chemical Bond 1993. There are no Such Things as Orbitals! J.F. Ogilvie. A Phase Space Essay; J.P. Dahl. The Wavelet Transform: a New Mathematical Tool for Quantum Chemistry; P. Fischer, M. Defranceschi. Index.