prev
up
next

What basis SET SHOULD I USE IN ADF?

This question is hard to answer in general, but a few general suggestions can be made. This will be split here into several subsections.

ZORA or nonrelativistic calculation?
Large or small molecule?
Frozen core or all-electron?
Diffuse functions needed?
Normal or even-tempered basis?
SCM Home Page
Quality Software. Quantum Science
*
*
Copyright Terms of UsePrivacy Policy
Home Products Try & Buy Downloads Documentation Support News About SCM Contact
Home     Products     Try & Buy     Downloads     Documentation     Support     News     About SCM     Contact