As of May 31, 2023, we have updated our Code of Conduct.

Questions tagged [basis-sets]

For questions about the usage and construction of electronic structure basis sets.

1 question with no upvoted or accepted answers
Filter by
Sorted by
Tagged with
3 votes
0 answers
96 views

Help with Mathematica for optimizing a Gaussian basis set for a hydrogen atom in a magnetic field

This is a follow-up to my previous question: Optimal Gaussian basis set for hydrogen atom in magnetic field Brief description of the problem I would like to find the ground and excited states of the ...
Mam Mam's user avatar
  • 183