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Conceptual Perspectives in Quantum Chemistry

  • Book
  • © 1997

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Editors:
  1. Jean-Louis Calais

    1. Bogoliubov Institute for Theoretical Physics, Kiev, Ukraine

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    You can also search for this editor in PubMed   Google Scholar

  2. Eugene Kryachko

    1. Bogoliubov Institute for Theoretical Physics, Kiev, Ukraine

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    You can also search for this editor in PubMed   Google Scholar

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Table of contents (14 chapters)

  1. Front Matter

    Pages i-xvi
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  2. Recent Developments in Multiple Scattering Theory and Density Functional Theory for Molecules and Solids

    • Robert K. Nesbet
    Pages 1-58

  3. Localized Atomic Hybrids: A General Theory

    • G. G. Hall, D. Rees
    Pages 59-89

  4. Quantum Electrodynamics and Molecular Structure

    • R. G. Woolley
    Pages 91-125

  5. Aspects of the Chemical Bond 1996

    • J. F. Ogilvie
    Pages 127-143

  6. Lie Symmetries in Quantum Mechanics

    • D. Rodney Truax
    Pages 145-193

  7. The Interplay Between Quantum Chemistry and Molecular Dynamics Simulations

    • S. M. Kast, J. Brickmann, R. S. Berry
    Pages 195-223

  8. The Permutation Group in Many-Electron Theory

    • Sten Rettrup
    Pages 225-238

  9. New Developments in Many Body Perturbation Theory and Coupled Cluster Theory

    • Dieter Cremer, Zhi He
    Pages 239-318

  10. A Philosopher’s Perspective on the “Problem” of Molecular Shape

    • Jeffry L. Ramsey
    Pages 319-336

  11. Van Der Waals Interactions from Density Functional Theories:

    • F. A. Gianturco, F. Paesani
    Pages 337-382

  12. Different Legacies and Common Aims: Robert Mulliken, Linus Pauling and the Origins of Quantum Chemistry

    • Ana Simões, Kostas Gavroglu
    Pages 383-413

  13. Potential Energy Hypersurfaces for Hydrogen Bonded Clusters (HF) n

    • Martin Quack, Martin A. Suhm
    Pages 415-463

  14. One-Electron Pictures of Electronic Structure: Propagator Calculations on Photoelectron Spectra of Aromatic Molecules

    • J. V. Ortiz, V. G. Zakrzewski, O. Dolgounitcheva
    Pages 465-517

  15. Shape in Quantum Chemistry

    • Paul G. Mezey
    Pages 519-550

  16. Back Matter

    Pages 551-553
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Keywords

About this book

The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan­ tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by large, computationists. But first and foremost, we, quantum chemists; are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.

Reviews

`The book is recommended to researchers and graduate students in theoretical, computational, structural, and solid state chemistry.'
Structural Chemistry, 10:2 (1999)

Editors and Affiliations

  • Bogoliubov Institute for Theoretical Physics, Kiev, Ukraine

    Jean-Louis Calais, Eugene Kryachko

Bibliographic Information

  • Book Title: Conceptual Perspectives in Quantum Chemistry

  • Editors: Jean-Louis Calais, Eugene Kryachko

  • DOI: https://doi.org/10.1007/978-94-011-5572-4

  • Publisher: Springer Dordrecht

  • eBook Packages: Springer Book Archive

  • Copyright Information: Springer Science+Business Media Dordrecht 1997

  • Hardcover ISBN: 978-0-7923-4688-3Published: 31 August 1997

  • Softcover ISBN: 978-94-010-6348-7Published: 16 October 2012

  • eBook ISBN: 978-94-011-5572-4Published: 06 December 2012

  • Edition Number: 1

  • Number of Pages: XVI, 553

  • Topics: Physical Chemistry, Quantum Physics

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