Journal
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
Volume 37, Issue 18, Pages 3753-3763Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0953-4075/37/18/015
Keywords
-
Categories
Ask authors/readers for more resources
The computation of first-order relativistic corrections to electrical response properties has been implemented into the Dalton program at the level of closed-shell coupled-cluster theory, within the framework of the direct perturbation theory (DPT) of relativistic effects. Calculations of the first-order relativistic DPT corrections to the static and frequency-dependent dipole polarizability (alpha) and second dipole hyperpolarizability (gamma) of the Ne atom illustrate possible applications of the new code.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available