A direct implementation of the second-order derivatives of multiconfigurational SCF energies and an analysis of the preconditioning in the associated response equation

Author： Bernhardsson Anders   Lindh Roland   Olsen Jeppe   Fulscher Markus  

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.96, Iss.4, 1999-02, pp. : 617-628

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