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Compact effective potential

Stevens W. J. Krauss M. Basch H. Jasien P. G. Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms. Can. J. Chem. 1992, 70, 612-630. [Pg.455]

At MP2/CEP (RCEP). Compact effective potentials (CEPs) were used for C, Si and Cl, and their relativistic analogs (RCEP) were used for Ge, Sn and Pb. The contribution of basis set superposition errors (BSSE) is included from Reference 471. [Pg.135]

Stevens, W. J., Basch, H., and Krauss, M., Compact effective potentials and efficient shared-exponent basis sets for the first- and second-row atoms, J. Chem. Phys. 81, 6026-6033 (1984). [Pg.41]

QCISD with the added contribution of triple (T) substitutions relativistic compact effective potentials restricted Hartree-Fock zero-point energy... [Pg.2]

W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can.. Chem., 70, 612 (1992). Relativistic Compact Effective Potentials and Efficient Shared-Exponent Basis Sets for the Third-, Fourth-, and Fifth-Row Atoms. [Pg.94]


See other pages where Compact effective potential is mentioned: [Pg.6]    [Pg.3]    [Pg.4]    [Pg.4]    [Pg.137]    [Pg.4]    [Pg.249]    [Pg.126]    [Pg.127]    [Pg.1]    [Pg.3]    [Pg.4]    [Pg.117]    [Pg.150]    [Pg.157]   
See also in sourсe #XX -- [ Pg.3 ]

See also in sourсe #XX -- [ Pg.3 , Pg.4 ]




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Relativistic compact effective potential (RCEP

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