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The computation of the relativistic correction to the first order in 1rc, where c is the velocity of light, is implemented at the levels of coupled cluster and many-body perturbation theory. The relativistic correction is obtained by applying direct perturbation theory through the first order, and it is shown that its implementation is straightforward if analytical energy gradients of the methods under consideration are available. Preliminary results were obtained Ž by a numerical procedure and are reported for some closed-shell atoms He, Be, . Ž . Ne, and Ar and molecules CuH and SiH . Q 1997 by John Wiley & Sons, 4 Inc.

j. comput. chem.

Simple recipe for implementing computation of first-order relativistic corrections to electron correlation energies in framework of direct perturbation theory