Parallel implementation of Hartree-Fock and density functional theory analytical second derivatives

Author: Baker Jon   Wolinski Krzysztof   Malagoli Massimo   Pulay Peter  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.102, Iss.23-24, 2004-01, pp. : 2475-2484

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