Important Notice: Our web hosting provider recently started charging us for additional visits, which was unexpected. In response, we're seeking donations. Depending on the situation, we may explore different monetization options for our Community and Expert Contributors. It's crucial to provide more returns for their expertise and offer more Expert Validated Answers or AI Validated Answers. Learn more about our hosting issue here.

Why is there no frozen core Au basis set with 11 valence electrons, but only Au.4d and Au.4f?

0
Posted

Why is there no frozen core Au basis set with 11 valence electrons, but only Au.4d and Au.4f?

0

Au basis sets with a larger frozen core have been removed because they sometimes gave unreliable results due to the too large frozen core, although such a basis sets is still available for the BAND program.

Related Questions

What is your question?

*Sadly, we had to bring back ads too. Hopefully more targeted.

Experts123