Progress in Theoretical Chemistry and Physics

Explicitly Correlated Wave Functions in Chemistry and Physics

Theory and Applications

Editors: Rychlewski, J. (Ed.)

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eBook 214,19 €
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  • ISBN 978-94-017-0313-0
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Hardcover 291,19 €
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  • ISBN 978-1-4020-1674-5
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Softcover 272,14 €
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  • ISBN 978-90-481-6448-6
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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.

Table of contents (12 chapters)

  • Theory of Electron Correlation

    Kutzelnigg, Werner

    Pages 3-90

    Preview Buy Chapter 30,19 €
  • Explicitly Correlated Functions in Variational Calculations

    Rychlewski, Jacek (et al.)

    Pages 91-147

    Preview Buy Chapter 30,19 €
  • Linear R12 Terms in Coupled Cluster Theory

    Klopper, Wim (et al.)

    Pages 149-183

    Preview Buy Chapter 30,19 €
  • Gaussian Geminals in Coupled Cluster and Many-Body Perturbation Theories

    Bukowski, Robert (et al.)

    Pages 185-248

    Preview Buy Chapter 30,19 €
  • Adiabatic Calculations Using Explicitly Correlated Wave Functions

    Rychlewski, Jacek (et al.)

    Pages 249-274

    Preview Buy Chapter 30,19 €

Buy this book

eBook 214,19 €
price for Spain (gross)
  • ISBN 978-94-017-0313-0
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover 291,19 €
price for Spain (gross)
  • ISBN 978-1-4020-1674-5
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
  • The final prices may differ from the prices shown due to specifics of VAT rules
Softcover 272,14 €
price for Spain (gross)
  • ISBN 978-90-481-6448-6
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
  • The final prices may differ from the prices shown due to specifics of VAT rules
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Bibliographic Information

Bibliographic Information
Book Title
Explicitly Correlated Wave Functions in Chemistry and Physics
Book Subtitle
Theory and Applications
Editors
  • J. Rychlewski
Series Title
Progress in Theoretical Chemistry and Physics
Series Volume
13
Copyright
2003
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media Dordrecht
eBook ISBN
978-94-017-0313-0
DOI
10.1007/978-94-017-0313-0
Hardcover ISBN
978-1-4020-1674-5
Softcover ISBN
978-90-481-6448-6
Series ISSN
1567-7354
Edition Number
1
Number of Pages
XXI, 557
Number of Illustrations
56 b/w illustrations
Topics