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Full Description
This volume contains nine 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. Insights into basic concepts are also presented, such as the nature of chemical bonding and molecular structure and the quantum mechanical problem of the phase space. Trends in the mathematical base of quantum chemistry, such as the methods of hyperspherical harmonics and of the wavelet transform are discussed. This work should be useful for researchers and graduate students of quantum and theoretical chemistry, quantum mechanics and chemical physics.
Contents
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 Orbital, J.F. Ogilvie; A Phase Space Essay, J.P. Dahl; The Wavelet Transform: a New Mathematical Tool for Quantum Chemistry, P. Fischer, M. Defranceschi.
