The Gaussian Approximation Potential An Interatomic Potential Derived from First Principles Quantum Mechanics |
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| Author:
| Bartók-Pártay, Albert |
| Series title: | Springer Theses Ser. |
| ISBN: | 978-3-642-26426-9 |
| Publication Date: | Oct 2012 |
| Publisher: | Springer Berlin / Heidelberg
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| Imprint: | Springer |
| Book Format: | Paperback |
| List Price: | USD $129.99 |
Book Description:
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The framework of Gaussian Approximation Potentials developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The method has already been successfully applied to semiconductors and metals.
The framework of Gaussian Approximation Potentials developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The method has already been successfully applied to semiconductors and metals.