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Correlation Energies from the Random Phase Approximation

Random Phase Approximation Ground state energies within the random phase approximation (RPA) can be computed using the rirpa module. The resolution-of-the-identity (RI) approximation is used to approximate the two-electron repulsion integrals in the correlation treatment [133,134]. The RI approximation is also employed by default for the computation of the Coulomb integrals for the HF (HXX) energy. It is optional to use RI for the HF exchange integrals.

RIRPA gradients are not yet available.

Functionality of rirpa:

So far only C1 symmetry is supported and the program can only be run sequentially.



Subsections

TURBOMOLE M