dorsal/arxiv
View SchemaComments 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)]
| Authors | A. V. Titov, N. S. Mosyagin |
|---|---|
| Categories | |
| ArXiv ID | physics/0008239 |
| URL | https://arxiv.org/abs/physics/0008239 |
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.
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"abstract": "The recent paper of M.Dolg is discussed and his critical remarks with respect\nto the Generalized Relativistic Effective Core Potential (GRECP) method are\nshown to be incorrect. Some main features of GRECP are discussed as compared\nwith the ``energy-consistent/adjusted\u0027\u0027 pseudopotential and with the\nconventional shape-consistent RECP.",
"arxiv_id": "physics/0008239",
"authors": [
"A. V. Titov",
"N. S. Mosyagin"
],
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"title": "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)]",
"url": "https://arxiv.org/abs/physics/0008239"
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