Challenges and Advances in Computational Chemistry and Physics

Relativistic Methods for Chemists

Editors: Barysz, Maria, Ishikawa, Yasuyuki (Eds.)

  • Features relativistic effects in atoms and molecules from a chemist’s perspective
  • Contains contributions from computational chemists and experiential 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
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eBook $269.00
price for USA (gross)
  • ISBN 978-1-4020-9975-5
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $339.00
price for USA
  • ISBN 978-1-4020-9974-8
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $339.00
price for USA
  • ISBN 978-94-007-3204-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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 problems such as relativistic two-component theory, density functional theory, pseudopotentials and correlations. These chapters are mostly addressed to experimentalists with only general background in theory and to computational chemists without training in relativistic methods. 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 its relations to relativistic description of matter and radiation. This part of the book includes subjects of interest to theoreticians and experimentalists working in different areas of chemistry.

Relativistic Methods for Chemists is written at an intermediate level in order to appeal to a broader audience than just experts working in the field of relativistic theory. The book is aimed at individuals not highly versed in these methods who want to acquire the rudiments of relativistic computing and the associated problems of importance for the heavy element chemistry.

Relativistic Methods for Chemists is written for graduate students, academics, and researchers in theoretical chemistry as well as experimentalists in materials chemistry, inorganic chemistry, and physical chemistry.

Table of contents (12 chapters)

  • An Introduction to Relativistic Quantum Chemistry

    Schwarz, W. H. Eugen

    Pages 1-62

  • Relativistic Effects and the Chemistry of the Heavier Main Group Elements

    Thayer, John S.

    Pages 63-97

  • Why do we Need Relativistic Computational Methods?

    Styszyński, Jacek

    Pages 99-164

  • Two-Component Relativistic Theories

    Barysz, Maria

    Pages 165-190

  • Relativistic Density Functional Theory

    Wüllen, Christoph

    Pages 191-214

Buy this book

eBook $269.00
price for USA (gross)
  • ISBN 978-1-4020-9975-5
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $339.00
price for USA
  • ISBN 978-1-4020-9974-8
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $339.00
price for USA
  • ISBN 978-94-007-3204-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Relativistic Methods for Chemists
Editors
  • Maria Barysz
  • Yasuyuki Ishikawa
Series Title
Challenges and Advances in Computational Chemistry and Physics
Series Volume
10
Copyright
2010
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media B.V.
eBook ISBN
978-1-4020-9975-5
DOI
10.1007/978-1-4020-9975-5
Hardcover ISBN
978-1-4020-9974-8
Softcover ISBN
978-94-007-3204-9
Series ISSN
2542-4491
Edition Number
1
Number of Pages
XIV, 613
Topics