QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: dprai on December 27, 2022, 08:19

Title: Tight Tier 1
Post by: dprai on December 27, 2022, 08:19

What are the underlying theory behind Tight Tier 1 and similar other Tight Tier basis sets?
I could not find it in the manual. Can anyone share a link to it?

Title: Re: Tight Tier 1
Post by: Anders Blom on January 18, 2023, 00:22

In short, I would not use them, they are only included for legacy support. The idea was taken from a similar concept in the FHIAims code, you can probably find some details in https://molmod.ugent.be/sites/default/files/deltadftcodes/supplmat/SupplMat-AIMS-tight.pdf and references therein.