Computer Simulations of Molecules and Condensed Matter : From Electronic Structures to Molecular Dynamics
Language: English
Published by World Scientific Publishing Co Pte Ltd, 2018
Series: Book 3 of 10 - Peking University-World Scientific Advanced Physics Series
- Hardcover
- New
Seller: GreatBookPricesUK, Woodford Green, United KingdomGreatBookPricesUK
AbeBooks seller since January 28, 2020
Condition: New
£ 84.82
Quantity: Over 20 available
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- Title
- Computer Simulations of Molecules and Condensed Matter : From Electronic Structures to Molecular Dynamics
- Author
- Li, Xin-zheng; Wang, En-ge
- Publisher
- World Scientific Publishing Co Pte Ltd
- 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.
"Synopsis" may belong to another edition of this title.
GreatBookPricesUK
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