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Table of contents (12 chapters)
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Front Matter
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Theory
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Front Matter
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Back Matter
About this book
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.
Editors and Affiliations
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Institute of Bioorganic Chemistry PAN, Adam Mickiewicz University in Poznań, Poznań, Poland
Jacek Rychlewski
Bibliographic Information
Book Title: Explicitly Correlated Wave Functions in Chemistry and Physics
Book Subtitle: Theory and Applications
Editors: Jacek Rychlewski
Series Title: Progress in Theoretical Chemistry and Physics
DOI: https://doi.org/10.1007/978-94-017-0313-0
Publisher: Springer Dordrecht
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eBook Packages: Springer Book Archive
Copyright Information: Springer Science+Business Media Dordrecht 2003
Hardcover ISBN: 978-1-4020-1674-5Published: 30 November 2003
Softcover ISBN: 978-90-481-6448-6Published: 04 December 2010
eBook ISBN: 978-94-017-0313-0Published: 14 March 2013
Series ISSN: 1567-7354
Series E-ISSN: 2215-0129
Edition Number: 1
Number of Pages: XXI, 557
Number of Illustrations: 56 b/w illustrations
Topics: Physical Chemistry, Theoretical and Computational Chemistry, Atomic, Molecular, Optical and Plasma Physics, Quantum Physics