DFT-based polarizable force field for TiO2 and SiO2

Author: Corradini Dario   Ishii Yoshiki   Ohtori Norikazu   Salanne Mathieu  

Publisher: IOP Publishing

E-ISSN: 1361-651X|23|7|74005-74014

ISSN: 0965-0393

Source: Modelling and Simulation in Materials Science and Engineering, Vol.23, Iss.7, 2015-10, pp. : 74005-74014

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Abstract