Article ID Journal Published Year Pages File Type
5374339 Chemical Physics 2012 9 Pages PDF
Abstract
► Approximation of the similarity-transformed Hamiltonian in coupled cluster theory. ► Recursive approximation incorrectly treats some of the fourth-order energy terms. ► A modified scheme correct up to fourth order is comparable in accuracy to CCSD. ► The recursive approximation degrades the quality of the Mukherjee's MRCC method.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
On the approximation of the similarity-transformed Hamiltonian in single-reference and multireference coupled cluster theory
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