- This topic has 0 replies, 1 voice, and was last updated 1 day, 20 hours ago by
.
Viewing 1 post (of 1 total)
-
Posts
-
For the presented molecule, it is convenient to use the DFT method because it is a large system, which has a high number of nuclei and an even greater number of electrons. Correlation must be taken into account. The HF approach would not be too computationally expensive and would still lead to a result not so excellent
Viewing 1 post (of 1 total)
- You must be logged in to reply to this topic.