Implementation of a Z -matrix approach within the SIESTA periodic boundary conditions code and its application to surface adsorption

Author: Hoft R. C.   Gale J. D.   Ford M. J.  

Publisher: Taylor & Francis Ltd

ISSN: 0892-7022

Source: Molecular Simulation, Vol.32, Iss.8, 2006-07, pp. : 595-600

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Abstract