The Gaussian Approximation Potential - An Interatomic Potential Derived from First Principles Quantum Mechanics (Hardcover, Edition.)

Simulation of materials at the atomistic level is an important tool in studying microscopic structures and processes. The atomic interactions necessary for the simulations are correctly described by Quantum Mechanics, but the size of systems and the length of processes that can be modelled are still limited. The framework of Gaussian Approximation Potentials that is developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The resulting potentials offer several orders of magnitude faster computations, while maintaining quantum mechanical accuracy. The method has already been successfully applied for semiconductors and metals.

General

Imprint:	Springer-Verlag
Country of origin:	Germany
Series:	Springer Theses
Release date:	August 2010
First published:	2010
Authors:	Albert Bartok-Partay
Dimensions:	235 x 155 x 13mm (L x W x T)
Format:	Hardcover - Cloth over boards
Pages:	90
Edition:	Edition.
ISBN-13:	978-3-642-14066-2
Categories:	Books > Science & Mathematics > Physics > Atomic & molecular physics Books > Science & Mathematics > Mathematics > Applied mathematics > General Books > Science & Mathematics > Physics > Quantum physics (quantum mechanics) > General Books > Science & Mathematics > Chemistry > Analytical chemistry > Qualitative analytical chemistry > Chemical spectroscopy, spectrochemistry > General
LSN:	3-642-14066-1
Barcode:	9783642140662

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