Comments on "Effective Core Potentials" [M.Dolg, Modern Methods and Algorithms of Quantum Chemistry (Ed. by J.Grotendorst, John von Neumann Institute for Computing, Jülich, NIC Series, Vol.1, ISBN 3-00-005618-1, pp.479-508, 2000)]

Details Comments on "Effective Core Potentials" [M.Dolg, Modern Methods and Algorithms of Quantum Chemistry (Ed. by J.Grotendorst, John von Neumann Institute for Computing, Jülich, NIC Series, Vol.1, ISBN 3-00-005618-1, pp.479-508, 2000)] Comments on "Effective Core Potentials" [M.Dolg, Modern Methods and Algorithms of Quantum Chemistry (Ed. by J.Grotendorst, John von Neumann Institute for Computing, Jülich, NIC Series, Vol.1, ISBN 3-00-005618-1, pp.479-508, 2000)]

2000-08-30

arxiv.org/abs/physics/0008239v2

Physics

Chemical Physics

18 pages, latex, no figures

Scientific paper

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.

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