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New Trends in Quantum Systems in Chemistry and Physics

Volume 2 Advanced Problems and Complex Systems Paris, France, 1999

  • Book
  • © 2002

Overview

Editors:
  1. Jean Maruani

    1. CNRS, Paris, France

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  2. Christian Minot

    1. UPMC, Paris, France

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  3. Roy McWeeny

    1. Università di Pisa, Italy

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  4. Yves G. Smeyers

    1. CSIC, Madrid, Spain

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  5. Stephen Wilson

    1. Rutherford Appleton Laboratory, UK

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Part of the book series: Progress in Theoretical Chemistry and Physics (PTCP, volume 7)

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Table of contents (17 chapters)

  1. Front Matter

    Pages i-x
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  2. Response Theory: Properties and Spectra

    1. Front Matter

      Pages 1-1
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    2. On Gauge Invariance and Molecular Electrodynamics

      • R. G. Woolley
      Pages 3-21

    3. Quantum Mechanics of Electro-Nuclear Systems Towards a Theory of Chemical Reactions

      • O. Tapia
      Pages 23-47

    4. Theoretical Study of Regularities in Atomic and Molecular Spectral Properties

      • I. Martin, C. Lavin, E. Charro
      Pages 49-63

    5. Excited States of Hydrogen Peroxide: An Overview

      • P. K. Mukherjee, M. Luisa Senent, Yves G. Smeyers
      Pages 65-83

    6. On Electron Dynamics in Violent Cluster Excitations

      • P. G. Reinhard, E. Suraud
      Pages 85-105

    7. Relativistic Effects in Non-Linear Atom-Laser Interactions at Ultrahigh Intensities

      • V. Véniard, R. Taïeb, C. Szymanowski, A. Maquet
      Pages 107-118

  3. Reactive Collisions and Chemical Reactions

    1. Front Matter

      Pages 119-119
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    2. Semiclassical Close-Coupling Description of Electron Transfer in Multicharged Ion-Atom Collisions

      • J. Caillat, A. Dubois, J. P. Hansen
      Pages 121-131

    3. Single and Double Electron Capture in Boron Collision Systems

      • M. C. Bacchus-Montabonel, P. Honvault
      Pages 133-142

    4. Theoretical Study of the Interaction of Carbon Dioxide with Sc, Ti, Ni, and Cu Atoms

      • F. Mele, N. Russo, M. Toscano, F. Illas
      Pages 143-165

  4. Condensed Matter

    1. Front Matter

      Pages 167-167
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    2. Recurrent Variational Approach Applied to the Electronic Structure of Conjugated Polymers

      • Stéphane Pleutin, Eric Jeckelmann, Miguel A. Martín-Delgado, German Sierra
      Pages 169-187

    3. Effects of Solvation for (R,R) Tartaric-Acid Amides

      • Marcin Hoffmann, Jacek Rychlewski
      Pages 189-210

    4. Interpretation of Vibrational Spectra in Electrochemical Environments from First-Principle Calculations: Computational Strategies

      • M. García-Hernández, A. Markovits, A. Clotet, J. M. Ricart, F. Illas
      Pages 211-226

    5. Excited States in Metal Oxides by Configuration Interaction and Multireference Perturbation Theory

      • Carmen Sousa, Coen De Graaf, Francesc Illas, Gianfranco Pacchioni
      Pages 227-245

    6. Electrostatic Effects in the Heterolytic Dissociation of Hydrogen at Magnesium Oxide

      • C. Pisani, A. D’ercole
      Pages 247-255

    7. A DFT Study of CO Adsorption on NiII Ions 3-Fold Coordinated to Silica

      • D. Costa, M. Kermarec, M. Che, G. Martra, Y. Girard, P. Chaquin
      Pages 257-268

    8. A Theoretical Study of Structure and Reactivity of Titanium Chlorides

      • C. Martinsky, C. Minot
      Pages 269-288
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Keywords

About this book

These two volumes collect thirty-eight selected papers from the scientific contributions presented at the Fourth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IV), held in Marly-le-Roi (France) in April 22-27, 1999. A total of one hundred and fifteen scientists attended the workshop, 99 from Europe and 16 from the rest of the world. They discussed the state of the art, new trends, and future evolution of the methods and applications. The workshop was held in the old town of Marly-le-Roi, which lies to the West of Paris between the historic centres of Saint-Germain-en-Laye and Versailles. Participants were housed at the National Youth Institute, where over sixty lectures were given by l- ding members of the scientific community; in addition, over sixty posters were presented in two very animated sessions. We are grateful to the oral speakers and to the poster p- senters for making the workshop such an stimulating experience. The social programme was also memorable – and not just for the closing banquet, which was held at the French Senate House. We are sure that participants will long remember their visit to the 'Musée des Antiquités Nationales': created by Napoleon III at the birthplace of Louis XIV, this museum boasts one of the world finest collections of archeological artifacts. The Marly-le-Roi workshop followed the format established at the three previous meetings, organized by Prof.

Editors and Affiliations

  • CNRS, Paris, France

    Jean Maruani

  • UPMC, Paris, France

    Christian Minot

  • Università di Pisa, Italy

    Roy McWeeny

  • CSIC, Madrid, Spain

    Yves G. Smeyers

  • Rutherford Appleton Laboratory, UK

    Stephen Wilson

Bibliographic Information

  • Book Title: New Trends in Quantum Systems in Chemistry and Physics

  • Book Subtitle: Volume 2 Advanced Problems and Complex Systems Paris, France, 1999

  • Editors: Jean Maruani, Christian Minot, Roy McWeeny, Yves G. Smeyers, Stephen Wilson

  • Series Title: Progress in Theoretical Chemistry and Physics

  • DOI: https://doi.org/10.1007/0-306-46950-2

  • Publisher: Springer Dordrecht

  • eBook Packages: Springer Book Archive

  • Copyright Information: Springer Science+Business Media Dordrecht 2002

  • Hardcover ISBN: 978-0-7923-6709-3Published: 31 January 2001

  • Softcover ISBN: 978-1-4020-0412-4Published: 31 May 2002

  • eBook ISBN: 978-0-306-46950-3Published: 10 April 2006

  • Series ISSN: 1567-7354

  • Series E-ISSN: 2215-0129

  • Edition Number: 1

  • Number of Pages: X, 313

  • Topics: Physical Chemistry, Mathematical Logic and Foundations, Computer Applications in Chemistry

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