Comments on "Effective Core Potentials" [M.Dolg, Modern Methods and Algorithms of Quantum Chemistry (Ed. by J.Grotendorst, John von Neumann Institute for Computing, J\"ulich, NIC Series, Vol.1, ISBN 3-00-005618-1, pp.479-508, 2000)]
classification
⚛️ physics.chem-ph
physics.atom-phphysics.comp-ph
keywords
corediscusseddolgeffectivegrecpadjustedalgorithmschemistry
read the original abstract
The recent paper of M.Dolg is discussed and his critical remarks with respect to the Generalized Relativistic Effective Core Potential (GRECP) method are shown to be incorrect. Some main features of GRECP are discussed as compared with the ``energy-consistent/adjusted'' pseudopotential and with the conventional shape-consistent RECP.
This paper has not been read by Pith yet.
discussion (0)
Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.