In the first part of this contribution we shortly present the multireference perturbation CI (MRPT-CI) method which we use in the frame of the CIPSI algorithm. The second part is devoted to the discussion of the problems which can be met in doing such kind of calculations and the projects we have to overcome them.
Problems and projects in multireference perturbation CI
ANGELI, Celestino;CIMIRAGLIA, Renzo
1999
Abstract
In the first part of this contribution we shortly present the multireference perturbation CI (MRPT-CI) method which we use in the frame of the CIPSI algorithm. The second part is devoted to the discussion of the problems which can be met in doing such kind of calculations and the projects we have to overcome them.File in questo prodotto:
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