Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics: 3 (Peking University-world Scientific Advanced Physics Series)
Language: English
Published by World Scientific Publishing Company, Incorporated, 2018
Series: Book 3 of 10 - Peking University-World Scientific Advanced Physics Series
- Hardcover
- New
Seller: Majestic Books, Hounslow, United KingdomMajestic Books
AbeBooks seller since January 19, 2007
Condition: New
£ 76.84
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- Title
- Computer Simulations Of Molecules And Condensed Matter: From Electronic Structures To Molecular Dynamics: 3 (Peking University-world Scientific Advanced Physics Series)
- Author
- Xin-zheng Li; En-Ge Wang
- Publisher
- World Scientific Publishing Company, Incorporated
- Publication year
- 2018
- Condition
- New
- Binding
- Hardcover
- Language
- English
- ISBN 10
- 9813230444
- ISBN 13
- 9789813230446
- Series
- Book 3 of 10: Peking University-World Scientific Advanced Physics Series
This book provides a relatively complete introduction to the methods used in computational condensed matter. A wide range of electronic structure theories are introduced, including traditional quantum chemistry methods, density functional theory, many-body perturbation theory, and more. Molecular dynamics simulations are also discussed, with extensions to enhanced sampling and free-energy calculation techniques including umbrella sampling, meta-dynamics, integrated tempering sampling, etc. As a further extension beyond the standard Born-Oppenheimer molecular dynamics, some simulation techniques for the description of quantum nuclear effects are also covered, based on Feynman's path-integral representation of quantum mechanics. The book aims to help beginning graduate students to set up a framework of the concepts they should know before tackling the physical/chemical problems they will face in their research.
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Majestic Books
Hounslow, United Kingdom
AbeBooks seller since January 19, 2007
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