Filip Pawlowski¹, Poul Jørgensen¹, Christof Hättig^2
1Department of Chemistry, University of Århus, DK-8000 Århus C, Denmark
²Forschungszentrum Karlsruhe, Institute of Nanotechnology, P.O. Box 3640, D-76021 Karlsruhe, Germany

Adv. Quant. Chem. 48, 9-21 (2005).
Availabel online 1 October 2005

The Cauchy moments are derived and implemented for the approximate triples model CC3 with the proper N-7 scaling (where N denotes the number of basis functions). The Cauchy moments are calculated for the Ne, Ar, and Kr atoms using the hierarchy of the coupled-cluster models CCS, CC2, CCSD, CC3 and a large correlation-consistent basis sets augmented with diffuse functions. A detailed investigation of the one- and N-electron errors shows that the CC3 results have the accuracy comparable to the experimental results.

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