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商品詳細
Methods of Quantum Chemistry: From Concepts to Algorithms.
・ISBN 978-1-119-38982-8 paper US$ 90.00
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| 著者・編者 | Saue, Trond, |
|---|---|
| 出版社 | (Wiley-Blackwell (an imprint of John Wiley & Sons Ltd), UK) |
| 出版年月 | 2022 |
| ページ数 | 600 pp. |
| 言語 | ENG |
| ニュース番号 | ＜A00-574＞ |
解説
This textbook provides a comprehensive overview of modern methods of quantum chemistry, written by world leading experts on the subject. Topics covered include:
- Mathematical Tools in Quantum Chemistry
- General aspects of computational chemistry
- Second Quantization
- Basis Sets, Integrals and SCF Methods
- Density Functional Theory
- The Multiconfigurational Approach
- Coupled Cluster Theory
- Molecular properties/response theory
- Relativistic Quantum Chemistry
- Hybrid QM/classical models in Chemistry
- Algorithm design
- Local correlation
- Open shells
Each topic is complemented with extensive exercises and worked solutions. A Tutor's Guide for lecturers is provided online.
- Mathematical Tools in Quantum Chemistry
- General aspects of computational chemistry
- Second Quantization
- Basis Sets, Integrals and SCF Methods
- Density Functional Theory
- The Multiconfigurational Approach
- Coupled Cluster Theory
- Molecular properties/response theory
- Relativistic Quantum Chemistry
- Hybrid QM/classical models in Chemistry
- Algorithm design
- Local correlation
- Open shells
Each topic is complemented with extensive exercises and worked solutions. A Tutor's Guide for lecturers is provided online.