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QZVPP

Optimization of auxiliary basis sets for RI-MP2 and RI-CC2 calculations Core-valence and quintuple-zeta basis sets for H to Ar and QZVPP basis sets for Li to Kr134... [Pg.522]

Table 7.1 Contraction patterns for the basis sets def2-SV(P) to def2-QZVPP, the reference bases, and the bases by Cao and Dolg, CD [24]. N denotes the number of basis, functions in the basis of spherical harmonics (AO) or Cartesian functions (CAO)... Table 7.1 Contraction patterns for the basis sets def2-SV(P) to def2-QZVPP, the reference bases, and the bases by Cao and Dolg, CD [24]. N denotes the number of basis, functions in the basis of spherical harmonics (AO) or Cartesian functions (CAO)...
TZVP, TZVPP, QZVP, and QZVPP basis sets (from left to right, characterized by their numb j of spherical harmonic basis functions) for the molecules of the test set at levels DFT(BP86), upper part and MP2, lower part... [Pg.192]

LPNO-CEPA-1 /def2-QZVPP 1.35 PWPB95/def2-TZVPP 1.99... [Pg.363]

See other pages where QZVPP is mentioned: [Pg.81]    [Pg.321]    [Pg.197]    [Pg.66]    [Pg.294]    [Pg.34]    [Pg.352]    [Pg.360]    [Pg.360]    [Pg.361]    [Pg.363]    [Pg.364]    [Pg.189]    [Pg.190]    [Pg.191]    [Pg.65]    [Pg.349]    [Pg.359]    [Pg.359]    [Pg.362]   
See also in sourсe #XX -- [ Pg.3 , Pg.197 ]

See also in sourсe #XX -- [ Pg.3 , Pg.197 ]

See also in sourсe #XX -- [ Pg.197 ]



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