How to quote:

• for PNO-MP2 calculations: A \({\cal O}({\cal N}^3)\)-scaling PNO-MP2 method using a hybrid OSV-PNO approach with an iterative direct generation of OSVs. Gunnar Schmitz, Benjamin Helmich, Christof Hättig, Mol. Phys. 111, 2463–2476, (2013).

• for PNO-CCSD calculations: Explicitly correlated PNO-MP2 and PNO-CCSD and its application to the S66 set and large molecular systems. Gunnary Schmitz, Christof Hättig, David P. Tew, Phys. Chem. Chem. Phys. 16, 22167–22178, (2014).

• for PNO-based triples (T0) or (T) calculations: Perturbative triples correction for local pair natural orbital based explicitly correlated CCSD(F12*) using Laplace transformation techniques. Gunnar Schmitz, Christof Hättig, J. Chem. Phys. 145, 234107 (2016)

• for calculations using PAOs (default) Principal Domains in Local Correlation Theory. David. P. Tew, J. Chem. Theory Comput. 15, 6597 (2019)