Relativistic Methods for Chemists

• Corporate Author: SpringerLink (Online service)
• Other Authors: Barysz, Maria. (Editor), Ishikawa, Yasuyuki. (Editor)
• Format: Electronic
• Language: English
• Published: Dordrecht : Springer Netherlands : Imprint: Springer, 2010.
• Series: Challenges and Advances in Computational Chemistry and Physics ; 10
• Subjects: Chemistry.; Chemistry, inorganic.; Chemistry, Physical organic.; Materials.; Theoretical and Computational Chemistry.; Physical Chemistry.; Materials Science, general.; Inorganic Chemistry.
• Online Access: https://ezaccess.library.uitm.edu.my/login?url=http://dx.doi.org/10.1007/978-1-4020-9975-5

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&...

Table of Contents:

• 1. An Introduction to Relativistic Quantum Chemistry (W.H. Eugen Schwarz)
• 2. Relativistic Effects and the Chemistry of the Heavier Main Group Elements (John S. Thayer)
• 3. Why do we Need Relativistic Computational Methods? (Jacek Styszynski)
• 4. Two-Component Relativistic Theories (Maria Barysz)
• 5. Relativistic Density Functional Theory (Christoph van W<U+00fc>llen)
• 6. Relativistic Pseudopotentials (Xiaoyan Cao and Michael Dolg)
• 7. Four-Component Electronic Structure Methods (Ephraim Eliav and Uzi Kaldor)
• 8. The Effects Of Relativity in Materials Science: Core Electron-Spectra (R. Broer)
• 9. Relativistic Symmetries in the Electronic Structure and Properties of Molecules (Devashis Majumdar, Szczepan Roszak, and Jerzy Leszczynski)
• 10. Relativistic String-Based Electron Correlation Methods (Timo Fleig)
• 11. Electronic Structure and Chemistry of the Heaviest Elements (V. Pershina)
• 12. Relativistic Effects on Magnetic Resonance Parameters and Other Properties of Inorganic Molecules and Metal Complexes (Jochen Autschbach).