Exploration of the Two-Electron Excitation Space with Data-Driven Coupled Cluster.

Autor: Pathirage PDVS; Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996-1600, United States., Phillips JT; Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996-1600, United States., Vogiatzis KD; Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996-1600, United States.

Publikováno v: The journal of physical chemistry. A [J Phys Chem A] 2024 Mar 14; Vol. 128 (10), pp. 1938-1947. Date of Electronic Publication: 2024 Feb 29.