© 2003

Explicitly Correlated Wave Functions in Chemistry and Physics

Theory and Applications

  • Jacek Rychlewski

Part of the Progress in Theoretical Chemistry and Physics book series (PTCP, volume 13)

Table of contents

  1. Front Matter
    Pages i-xxi
  2. Theory

    1. Front Matter
      Pages 1-1
    2. Werner Kutzelnigg
      Pages 3-90
    3. Jacek Rychlewski, Jacek Komasa
      Pages 91-147
    4. Wim Klopper, Jozef Noga
      Pages 149-183
    5. Robert Bukowski, Bogumił Jeziorski, Krzysztof Szalewicz
      Pages 185-248
    6. Jacek Rychlewski, Wojciech Cencek
      Pages 249-274
    7. Werner Kutzelnigg
      Pages 275-329
    8. Grzegorz Pestka, Jacek Karwowski
      Pages 331-346
  3. Applications

    1. Front Matter
      Pages 371-371
    2. Jacek Rychlewski, Jacek Komasa
      Pages 373-438
    3. Krzysztof Strasburger, Henryk Chojnacki
      Pages 439-463
    4. Mirosław Bylicki, Eugeniusz Bednarz
      Pages 465-502
  4. Back Matter
    Pages 555-557

About this book


Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance.
The book covers a wide range of methods based on explicitly correlated functions written by leaders in the field, including Kutzelnigg, Jeziorski, Szalewicz, Klopper and Noga. The book begins with a chapter on the theory of electron correlation and then the following three chapters describe different types of functions that can be used to solve the electronic Schrödinger equation for atoms and molecules. The book goes on to discuss the effects that go beyond the Born-Oppenheimer approximation, theory of relativistic effects, solution of the Dirac-Colomb equation, and relativistic correction using ECG functions. The last part of the book reviews applications of EC functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion.


atomic physics cluster isotope molecule perturbation theory

Editors and affiliations

  • Jacek Rychlewski
    • 1
  1. 1.Institute of Bioorganic Chemistry PANAdam Mickiewicz University in PoznańPoznańPoland

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