The ORCA program system

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Software update: the ORCA program system, version 4.0 (2018, methodology): “This short software update will provide an overview over the functionality added to ORCA since the publication of the original 2012 WIRES article.(1) Extensive further information, example inputs and outputs as well as theoretical background can be found in the 800 page manual that comes with the di”
Single-Molecule Magnets: From Mn12-ac to dysprosium metallocenes, a travel in time (2021, methodology): “The work of some speciﬁc authors in this ﬁeld is remarkable as they were pioneers setting the basis of the extensively used softwares ORCA [112] and MOLCAS [113].”
Outsmarting Quantum Chemistry Through Transfer Learning (2018, methodology): “Our CCSD(T)*/CBS method is a computationally efficient approximation of CCSD(T)/CBS energies that takes advantage of the linear-scaling domain-localized DPLNO-CCSD(T) method developed by Neese et al 55 which is implemented in the ORCA software package 56 .”