Overview
- Features relativistic effects in atoms and molecules from a chemist’s perspective
- Contains contributions from computational chemists and experiental chemists
- Aimed at individuals not highly versed in relativistic methods who want to acquire the rudiments of relativistic computing and the associated problems of importance for the heavy element chemistry
- Includes supplementary material: sn.pub/extras
Part of the book series: Challenges and Advances in Computational Chemistry and Physics (COCH, volume 10)
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Table of contents (12 chapters)
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Front Matter
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Back Matter
Keywords
About this book
“Relativistic Methods for Chemists”, written by a highly qualified team of authors, is targeted at both experimentalists and theoreticians interested in the area of relativistic effects in atomic and molecular systems and processes and in their consequences for the interpretation of the heavy element’s chemistry.
The theoretical part of the book focuses on the relativistic methods for molecular calculations discussing relativistic two-component theory, density functional theory, pseudopotentials and correlations. The experimentally oriented chapters describe the use of relativistic methods in different applications focusing on the design of new materials based on heavy element compounds, the role of the spin-orbit coupling in photochemistry and photobiology, and chirality and its relations to relativistic description of matter and radiation.
This book is written at an intermediate level in order to appeal to a broader audience than just experts working in the field of relativistic theory.
Editors and Affiliations
Bibliographic Information
Book Title: Relativistic Methods for Chemists
Editors: Maria Barysz, Yasuyuki Ishikawa
Series Title: Challenges and Advances in Computational Chemistry and Physics
DOI: https://doi.org/10.1007/978-1-4020-9975-5
Publisher: Springer Dordrecht
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer Science+Business Media B.V. 2010
Hardcover ISBN: 978-1-4020-9974-8Published: 30 April 2010
Softcover ISBN: 978-94-007-3204-9Published: 28 May 2012
eBook ISBN: 978-1-4020-9975-5Published: 15 April 2010
Series ISSN: 2542-4491
Series E-ISSN: 2542-4483
Edition Number: 1
Number of Pages: XIV, 613
Topics: Theoretical and Computational Chemistry, Physical Chemistry, Materials Science, general, Inorganic Chemistry