In this feature, we review the current capabilities of local electron correlation methods up to
the coupled cluster model with single, double, and perturbative triple excitations [CCSD (T)] …

MRCC is a package of ab initio and density functional quantum chemistry programs for
accurate electronic structure calculations. The suite has efficient implementations of both low …

Recent optimization efforts and extensive benchmark applications are presented illustrating
the accuracy and efficiency of the linear-scaling local natural orbital (LNO) coupled-cluster …

An optimized implementation of the local natural orbital (LNO) coupled-cluster (CC) with
single-, double-, and perturbative triple excitations [LNO–CCSD (T)] method is presented …

The accurate and systematically improvable frozen natural orbital (FNO) and natural
auxiliary function (NAF) cost-reducing approaches are combined with our recent coupled …

Here we report a practical, highly enantioselective photoredox allylation of aldehydes
mediated by chiral nickel complexes with commercially available allyl acetate as the …

Several approximations are introduced and tested to reduce the computational expenses of
the explicitly correlated coupled-cluster singles and doubles with perturbative triples [CCSD …

A completely integral-direct, disk I/O, and network traffic economic coupled-cluster singles,
doubles, and perturbative triples [CCSD (T)] implementation has been developed relying on …

The extension of the highly optimized local natural orbital (LNO) coupled cluster (CC) with
single-, double-, and perturbative triple excitations [LNO-CCSD (T)] method is presented for …

Discovered more than one decade ago, α, α‐diaryl prolinols, most of them commercially
available compounds, demonstrated to be distinctive organocatalysts in asymmetric …