Various formulations of the Fock-space coupled-cluster method : advantages and disadvantages in their practical implementations

Publication year: 2011 Source: Chemical Physics, Available online 17 September 2011 Leszek Meissner 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.

Publication year: 2011 Source: Chemical Physics, Available online 17 September 2011 Leszek Meissner 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.

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Various formulations of the Fock-space coupled-cluster method : advantages and disadvantages in their practical implementations