Comments on “Effective Core Potentials ” [ M. Dolg, Modern Methods and Algorithms of Quantum Chemistry (Ed. by J.Grotendorst,
نویسندگان
چکیده
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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تاریخ انتشار 2000