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  • © 2012

Advances in the Theory of Quantum Systems in Chemistry and Physics

  • Discusses state-of-the-art developments in the Theory of Quantum Systems in Chemistry and Physics
  • A collection of 32 selected contributions from leading experts in the field of Quantum Systems in Chemistry and Physics
  • Aimed at a wide spectrum of theoretical and computational chemists and physicists

Part of the book series: Progress in Theoretical Chemistry and Physics (PTCP, volume 22)

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Table of contents (32 chapters)

  1. Front Matter

    Pages i-xxii
  2. Fundamental Theory

    1. Front Matter

      Pages 1-1
  3. Atoms and Molecules with Exponential-Type Orbitals

    1. Front Matter

      Pages 69-69
    2. Two-Range Addition Theorem for Coulomb Sturmians

      • Daniel H. Gebremedhin, Charles A. Weatherford
      Pages 71-81
    3. Why Specific ETOs are Advantageous for NMR and Molecular Interactions

      • Philip E. Hoggan, Ahmed Bouferguène
      Pages 83-102
    4. Progress in Hylleraas-CI Calculations on Boron

      • María Belén RUIZ
      Pages 103-117
    5. Structural and Electronic Properties of Po under Hydrostatic Pressure

      • A. Rubio-Ponce, J. Morales, D. Olguín
      Pages 119-127
    6. Complexity Analysis of the Hydrogenic Spectrum in Strong Fields

      • R. González-Férez, J. S. Dehesa, K. D. Sen
      Pages 129-136
  4. Density-Oriented Methods

    1. Front Matter

      Pages 137-137
    2. Understanding Maximum Probability Domains with Simple Models

      • Osvaldo Mafra Lopes Jr., Benoît Braïda, Mauro Causà, Andreas Savin
      Pages 173-184
    3. Density Scaling for Excited States

      • Á. Nagy
      Pages 185-197
    4. Finite Element Method in Density Functional Theory Electronic Structure Calculations

      • Jiří Vackář, Ondřej Čertík, Robert Cimrman, Matyáš Novák, Ondřej Šipr, Jiří Plešek
      Pages 199-217
  5. Dynamics and Quantum Monte-Carlo Methodology

    1. Front Matter

      Pages 267-267

About this book

Advances in the Theory of Quantum Systems in Chemistry and Physics is a collection of 32 selected papers from the scientific contributions presented at the 15th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV), held at Magdalene College, Cambridge, UK, from August 31st to September 5th, 2010.

This volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in chemistry, physics, and biology. The breadth and depth of the scientific topics discussed during QSCP-XV are gathered in seven sections:

I. Fundamental Theory;
II. Model Atoms;
III. Atoms and Molecules with Exponential-Type Orbitals;
IV. Density-Oriented Methods;
V. Dynamics and Quantum Monte-Carlo Methodology;
VI. Structure and Reactivity;
VII. Complex Systems, Solids, Biophysics.

Advances in the Theory of Quantum Systems in Chemistry and Physics is written for research students and professionals in Quantum systems of chemistry and physics. It also constitutes and invaluable guide for those wishing to familiarize themselves with research perspectives in the domain of quantum systems for thematic conversion or simply to gain insight into the methodological developments and applications to physics chemistry and biology that have actually become feasible by the end of 2010.

Editors and Affiliations

  • , LASMEA, Clermont University, Aubiere Cedex, France

    Philip E. Hoggan

  • Dept. Quantum Chemistry, Uppsala University, Uppsala, Sweden

    Erkki J. Brändas

  • Labo. Chimie Physique, CNRS, Paris, France

    Jean Maruani

  • Dept. Chemistry, Michigan State University, East Lansing, USA

    Piotr Piecuch

  • Inst. Matemáticas y Física, Fundamental (IMAFF), CSIC Madrid, Madrid, Spain

    Gerardo Delgado-Barrio

About the editors

PHILIP HOGGAN
Université Blaise-Pascal, Clermont-Ferrand, France

ERKKI BRÄNDAS
Department of Quantum Chemistry, University of Uppsala, Sweden

JEAN MARUANI
Laboratoire de Chimie Physique, CNRS and UPMC, Paris, France

PIOTR PIECUCH
Michigan State University, East Lansing, Michigan, USA 

and

GERARDO DELGADO-BARRIO
Instituto de Física Fundamental, CSIC, Madrid, Spain

Bibliographic Information

Buy it now

Buying options

eBook USD 169.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 219.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book USD 219.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access