title: Tensor hypercontraction equation-of-motion second-order approximate coupled cluster: electronic excitation energies in O(N4) time.
abstract: The tensor hypercontraction (THC) formalism is applied to equation-of-motion second-order approximate coupled cluster singles and doubles (EOM-CC2). The resulting method, THC-EOM-CC2, is shown to scale as O(N4), a reduction of one order from the formal O(N5) scaling of conventional EOM-CC2. Numerical tests for a variety of molecules show that errors of less than 0.02 eV are introduced into the excitation energies.
authors: Department of Chemistry and the PULSE Institute, Stanford University , Stanford, California 94305, United States.
authors: Edward G
authors: EG
authors: Hohenstein
authors: Sara I L
authors: SI
authors: Kokkila
authors: Robert M
authors: RM
authors: Parrish
authors: Todd J
authors: TJ
authors: Martínez