Introduction to Relativistic Quantum Chemistry (Hardcover)
Language: English
Published by Oxford University Press Inc, New York, 2007
- Hardcover
- New
Seller: CitiRetail, Stevenage, United KingdomCitiRetail
AbeBooks seller since June 29, 2022
Condition: New
£ 179.99
Quantity: 1 available
Add to basketItem description from seller
Hardcover. This book provides an introduction to the essentials of relativistic effects in quantum chemistry, and a reference work that collects all the major developments in this field. It is designed for the graduate student and the computational chemist with a good background in nonrelativistic theory. In addition to explaining the necessary theory in detail, at a level that the non-expert and the student should readily be able to follow, the book discusses theimplementation of the theory and practicalities of its use in calculations. After a brief introduction to classical relativity and electromagnetism, the Dirac equation is presented, and its symmetry, atomicsolutions, and interpretation are explored. Four-component molecular methods are then developed: self-consistent field theory and the use of basis sets, double-group and time-reversal symmetry, correlation methods, molecular properties, and an overview of relativistic density functional theory. The emphases in this section are on the basics of relativistic theory and how relativistic theory differs from nonrelativistic theory. Approximate methods are treated next, starting with spin separationin the Dirac equation, and proceeding to the Foldy-Wouthuysen, Douglas-Kroll, and related transformations, Breit-Pauli and direct perturbation theory, regular approximations, matrix approximations, andpseudopotential and model potential methods. For each of these approximations, one-electron operators and many-electron methods are developed, spin-free and spin-orbit operators are presented, and the calculation of electric and magnetic properties is discussed. The treatment of spin-orbit effects with correlation rounds off the presentation of approximate methods. The book concludes with a discussion of the qualitative changes in the picture of structure and bonding that arise from theinclusion of relativity. Introduces relativistic methods in quantum chemistry to non-experts and students. This book covers relativity background, the Dirac question, four component methods, including symmetry, correlation, and properties, approximate methods, including perturbation theory, transformed Hamiltonians, regular approximations, matrix approximations, and more. This item is printed on demand. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability.…
Seller Inventory # 9780195140866
- Title
- Introduction to Relativistic Quantum Chemistry (Hardcover)
- Author
- Kenneth G. Dyall
- Publisher
- Oxford University Press Inc, New York
- Publication year
- 2007
- Condition
- new
- Binding
- Hardcover
- Language
- English
- ISBN 10
- 0195140869
- ISBN 13
- 9780195140866
"Synopsis" may belong to another edition of this title.
Review
This book is an excellent guide to the theoretical background and the computational application of relativistic quantum chemistry. It lives up to the claim of being readable by the non-relativistic quantum chemist, and I can recommend it to anyone interested in using or developing these methods. (Chemistry World)
"About the title" may belong to another edition of this title.
CitiRetail
Stevenage, United Kingdom
AbeBooks seller since June 29, 2022
Shipping rates from United Kingdom to U.S.A.
| Item | 7 to 14 business days | 7 to 60 business days |
|---|---|---|
| First item | £ 37.00 | £ 37.00 |
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