Article ID Journal Published Year Pages File Type
5378841 Chemical Physics Letters 2016 4 Pages PDF
Abstract
The CCSD(T) approach with spin-orbit interaction just included in the coupled cluster iteration based on two-component relativistic effective core potential provides the accurate spectroscopic constants of ground states of Kr2, Xe2 and Rn2 dimers compared to the available experimental values and benchmark results.52
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Coupled cluster study of spectroscopic constants of ground states of heavy rare gas dimers with spin-orbit interaction
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