1. Comparison and combination of ‘direct’ and fragment based local correlation methods: cluster-in-molecules and domain based local pair natural orbital perturbation and coupled cluster theories.
Y. Guo, U. Becker and F. Neese, J. Chem. Phys. 148, 124117 (2018)
2. An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]
Y. Guo, C. Riplinger, U. Becker, D. Liakos, et. al., J. Chem. Phys. 148, 011101 (2018)
3. Explicitly correlated N-electron valence state perturbation theory (NEVPT2-F12)
Y. Guo, K.Sivalingam, E. F. Valeev, and F. Neese, J. Chem. Phys. 147, 064110 (2017)
4. SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multi-reference domain-based pair natural orbital NEVPT2
Y. Guo, K.Sivalingam, E. F. Valeev, and F. Neese, J. Chem. Phys. 144, 094111 (2016).
5. Improved Cluster-in-Molecule local correlation approach for electron correlation calculation of large systems
Y. Guo, W. Li and S. Li, J. Phys. Chem. A 118 (39), 8996-9004 (2014)
6. An efficient linear scaling procedure for constructing localized orbitals of large molecules based on the one-particle density matrix
Y. Guo, W. Li and S. Li, J. Chem. Phys. 135, 134107 (2011).