Quadratic Unitary Coupled-Cluster Singles and Doubles Scheme: Efficient Implementation, Benchmark Study, and Formulation of an Extended Version.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c01210
Abstract: An efficient implementation of the quadratic unitary coupled-cluster singles and doubles (qUCCSD) scheme for calculations of electronic ground and excited states using an unrestricted molecular spin-orbital formulation and an efficient tensor contraction library is reported.… read more here.
Keywords: efficient implementation; unitary coupled; coupled cluster; scheme ... See more keywords
Operator Relationship between Conventional Coupled Cluster and Unitary Coupled Cluster
Sign Up to like & getrecommendations! Published in 2022 at "Symmetry"
DOI: 10.3390/sym14030494
Abstract: The chemistry community has long sought the exact relationship between the conventional and the unitary coupled cluster ansatz for a single-reference system, especially given the interest in performing quantum chemistry on quantum computers. In this… read more here.
Keywords: unitary coupled; chemistry; factorized form; conventional coupled ... See more keywords