This textbook by Kenneth G. Dyall introduces relativistic methods in quantum chemistry for non-experts and students. It covers theoretical backgrounds and practical approaches in chemistry, with a focus on modern four-component methods and approaches for correlation and properties.
Description
The book provides a clear introduction to relativistic methods in quantum chemistry, aimed at non-experts and students. The content is divided into five parts: relative theory, the Dirac question, four-component methods including symmetry and correlation, approximate techniques such as perturbation theory and transformed Hamiltonians, and an overview of relativistic effects on chemical bonding.
Product specifications
- Author: Kenneth G. Dyall (Senior Technical Writer, Schrodinger, Inc.)
- Publisher: Oxford University Press Inc
- Publication date: 2007-07-05
- Number of pages: 544
- ISBN: 9780195140866
- Theme: Thermochemistry and chemical thermodynamics
- BISAC: SCIENCE / Chemistry / Physical & Theoretical