The QM/MM approach for wavefunctions, energies and response functions within self-consistent field and coupled cluster theories

Author: Kongsted Jacob   Osted Anders   Mikkelsen Kurt V.   Christiansen Ove  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.100, Iss.11, 2002-06, pp. : 1813-1828

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Abstract