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Functionalities of MPGRAD, RIMP2, and RICC2

TURBOMOLE offers three possibilities for MP2 calculations. A "conventional" implementation [91], mpgrad, based on the calculation of four-center integrals (not further developed for several years), and two implementations which use the resolution-of-the-identity (RI) approximation: the implementation from 1997 [8] in rimp2 and a new implementation as part the CC2 program [10], ricc2.

Functionality of mpgrad:

Functionality of rimp2: Functionality of ricc2:



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TURBOMOLE M