Improving the performance of direct coupled cluster analytical gradients algorithms

Author： Perera S. Ajith   Rozyczko Piotr B.   Bartlett Rodney J   Hirata So  

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.103, Iss.15-16, 2005-08, pp. : 2081-2083

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