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Advances in the Theory of Atomic and Molecular Systems

Dynamics, Spectroscopy, Clusters, and Nanostructures

  • Book
  • © 2009

Overview

Editors:
  1. Piotr Piecuch

    1. Department of Chemistry, Michigan State University, East Lansing, USA

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  2. Jean Maruani

    1. Laboratoire de Chimie Physique, CNRS and UPMC, Paris, France

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  3. Gerardo Delgado-Barrio

    1. Instituto de FĂ­sica Fundamental CSIC, Madrid, Spain

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  4. Stephen Wilson

    1. Physical & Theoretical Chemistry Laboratory, University of Oxford, Oxford, United Kingdom

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  • Discusses the most significant advances in the development of quantum methodologies as applied to atomic, molecular, and condensed matter systems
  • Provides a timely update to a spectrum of theoretical and computational chemists and physicists

Part of the book series: Progress in Theoretical Chemistry and Physics (PTCP, volume 20)

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Table of contents (13 chapters)

  1. Front Matter

    Pages I-XII
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  2. Quantum Dynamics and Spectroscopy

    1. Front Matter

      Pages 1-1
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    2. Quantum Theory in Terms of Cumulant Variables

      • Yasuteru Shigeta, Hideaki Miyachi, Toru Matsui, Norisuke Yokoyama, Kimihiko Hirao
      Pages 3-34

    3. Nonclassical Phase Space Jumps and Optimal Spawning

      • Sandy Yang, Todd J. Martinez
      Pages 35-45

    4. On the Differential Cross Sections in Complex-Forming Atom–Diatom Reactive Collisions

      • Pedro Bargueño, Tomás González-Lezana
      Pages 47-66

    5. Shared Memory Parallelization of the Multiconfiguration Time-Dependent Hartree Method and Application to the Dynamics and Spectroscopy of the Protonated Water Dimer

      • Michael Brill, Oriol Vendrell, Hans-Dieter Meyer
      Pages 67-80

    6. Structural Properties and Torsional Dynamics of Peroxides and Persulfides

      • Glauciete S. Maciel, Ana Carla P. Bitencourt, Mirco Ragni, Gaia Grossi, Vincenzo Aquilanti
      Pages 81-101

    7. Theoretical Spectroscopy of Inner-Shell Electronic Processes and Photochemistry of Fluorescent Molecules

      • Masahiro Ehara, Hiroshi Nakatsuji
      Pages 103-124

    8. Electron-β-Nuclear Spectroscopy of Atoms and Molecules and Chemical Bond Effect on the β-Decay Parameters

      • Alexander V. Glushkov, Olga Yu. Khetselius, Ludmila Lovett
      Pages 125-152

  3. Complexes and Clusters

    1. Front Matter

      Pages 153-153
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    2. Quantum Chemical Approach to Interatomic Decay Rates in Clusters

      • V. Averbukh, P. KolorenÄŤ, K. Gokhberg, L.S. Cederbaum
      Pages 155-181

    3. Spectroscopy of Atoms in Liquid Helium Environment: A Theoretical Perspective

      • Kaline Coutinho, Sylvio Canuto, Prasanta K. Mukherjee, Burkhard Fricke
      Pages 183-200

    4. Level-Structure and Magnetic Properties from One-Electron Atoms to Clusters with Delocalized Electronic Orbitals: Shell Models for Alkali Trimers

      • Andreas W. Hauser, Carlo Callegari, Wolfgang E. Ernst
      Pages 201-215

  4. Nanostructures and Complex Systems

    1. Front Matter

      Pages 217-217
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    2. Influence of the Level of Protonation on the Geometry and the Electronic Structure of Emeraldine Oligomers

      • Jasmina Petrova, Julia Romanova, Galia Madjarova, Anela Ivanova, Alia Tadjer, Natalia Gospodinova
      Pages 219-251

    3. Quantum Mechanical Examination of Optical Absorption Spectra of Silver Nanorod Dimers

      • JĂ©rĂ©my Vincenot, Christine M. Aikens
      Pages 253-264

    4. On the Electronic Spectra of a Molecular Bridge Under Non-Equilibrium Electric Potential Conditions

      • Alexander Prociuk, Barry D. Dunietz
      Pages 265-277

  5. Back Matter

    Pages 279-288
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Keywords

About this book

Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled “Dynamics, Spectroscopy, Clusters, and Nanostructures”) deals with the topics of “Quantum Dynamics and Spectroscopy”, “Complexes and Clusters”, and “Nanostructures and Complex Systems”.

This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.

Editors and Affiliations

  • Department of Chemistry, Michigan State University, East Lansing, USA

    Piotr Piecuch

  • Laboratoire de Chimie Physique, CNRS and UPMC, Paris, France

    Jean Maruani

  • Instituto de FĂ­sica Fundamental CSIC, Madrid, Spain

    Gerardo Delgado-Barrio

  • Physical & Theoretical Chemistry Laboratory, University of Oxford, Oxford, United Kingdom

    Stephen Wilson

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