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We studied convergence characteristics of relativistic effective core potential (RECP) based configuration interaction (CI) and coupled-cluster (CC) schemes in terms of spin–orbit coupling and electron correlation. The relativistic correlated methods can be divided into Kramers restricted (KR) and spin–orbit (SO) methods which differ by the stage of spin–orbit treatment: the KR method employs two-component...
The single-reference coupled-cluster method is one of the most efficient approaches to the problem of describing electron correlation effects in situations when a single determinant gives reliable zeroth-order description of a system. Its multi-reference generalizations have not been, however, so successful mainly because of their effective Hamiltonian formulation. In this paper we present attempts...
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