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.
Determine the total number of basis functions and primitive basis functions (Gaussians) for STO-3G, 6-31G, 6-31G**, and
-
answerhappygod
- Site Admin
- Posts: 899604
- Joined: Mon Aug 02, 2021 8:13 am
Determine the total number of basis functions and primitive basis functions (Gaussians) for STO-3G, 6-31G, 6-31G**, and
Join a community of subject matter experts. Register for FREE to view solutions, replies, and use search function. Request answer by replying!