Explicitly Correlated Wave Functions in Chemistry and Physics
Theory and Applications
Editors: Rychlewski, J. (Ed.)
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- About this book
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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)
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Theory of Electron Correlation
Pages 3-90
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Explicitly Correlated Functions in Variational Calculations
Pages 91-147
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Linear R12 Terms in Coupled Cluster Theory
Pages 149-183
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Gaussian Geminals in Coupled Cluster and Many-Body Perturbation Theories
Pages 185-248
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Adiabatic Calculations Using Explicitly Correlated Wave Functions
Pages 249-274
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Table of contents (12 chapters)
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Bibliographic Information
- Bibliographic Information
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- Book Title
- Explicitly Correlated Wave Functions in Chemistry and Physics
- Book Subtitle
- Theory and Applications
- Editors
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- 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
