Determine the total number of basis functions and primitive basis functions (Gaussians) for STO-3G, 6-31G, 6-31G**, and
Posted: Sat Feb 26, 2022 10:59 am
Determine the total number of basis functions and
primitive basis functions (Gaussians) for STO-3G, 6-31G,
6-31G**, and 6-311(+,+)G** calculations of water molecule. Assume
that pure angular momentum (5d, 7f etc functions)
polarization functions are used.
primitive basis functions (Gaussians) for STO-3G, 6-31G,
6-31G**, and 6-311(+,+)G** calculations of water molecule. Assume
that pure angular momentum (5d, 7f etc functions)
polarization functions are used.