Most important changes in basis sets SZ-TZ2P (I-V)

The most important additional differences in the basis sets DZ-TZ2P are summarized here:

    changed 3D polarization function for Na* and Mg*

    changed value of exponent of 3D polarization function in P* (3D 1.35 → 3D 1.90)

    changed 4F polarization function for Na*

    changed 2S function for Na.1s (IV,V)

    changed 2P functions for Li* (IV,V)

    changed 2P functions for Be* (IV)

    additional 2S function for F.1s (IV,V)

    additional polarization functions for basis sets of: Rb* Sr* Cs* Ba* Fr* Ra*

 

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