. 2023 Jun 20;19(13):4023–4032. doi: 10.1021/acs.jctc.3c00444

Table 1. Critical DLPNO Settings^a Associated with Simple Keywords in the ORCA Nomenclature Used in the Proposed Correction Scheme.

keyword	T_cutPNO	T_cutMKN	T_cutDO
NormalPNO	3.33 × 10^–7	10^–3	1.0 × 10^–2
TightPNO	1.00 × 10^–7	10^–3	5.0 × 10^–3

T_cutPNO, T_cutPAIR, T_cutDO. T_cutDO has been used only for the DLPNO-MP2 calculations and closed-shell DLPNO-CCSD(T).

Table 1. Critical DLPNO Settingsa Associated with Simple Keywords in the ORCA Nomenclature Used in the Proposed Correction Scheme.