Article pubs.acs.org/JCTC
Multilevel Approaches within the Local Pair Natural Orbital Framework Manuel Sparta, Marius Retegan,# Peter Pinski, Christoph Riplinger, Ute Becker, and Frank Neese* Max Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, D−45470 Mülheim an der Ruhr, Germany S Supporting Information *
ABSTRACT: The linear-scaling local coupled cluster method DLPNO-CCSD(T) allows calculations on systems containing hundreds of atoms to be performed while reproducing canonical CCSD(T) energies typically with chemical accuracy (
