Can we put three things together to reproduce the hyperfine

Find answers or ask questions regarding Dalton calculations.
Please upload an output file showing the problem, if applicable.
(It is not necessary to upload input files, they can be found in the output file.)

Post Reply
xiongyan21
Posts: 290
Joined: 24 Sep 2014, 08:36
First name(s): yan
Last name(s): xiong
Affiliation: CENTRAL CHINA NORMAL UNIVERSITY
Country: China

Can we put three things together to reproduce the hyperfine

Post by xiongyan21 » 22 Jan 2015, 05:30

Can we put scalar relativistic Douglas-Kroll Halmitonian, spin-orbit mean field or spin-orbit coupling, and .linear (vibronic coupling constants) together, or two of them together, in CC, TDDFT, etc. in DALTON?

Post Reply

Who is online

Users browsing this forum: No registered users and 1 guest