Finite-field calculation of electric quadrupole moments of 2P3/2, 2D3/2,5/2, and 2F5/2,7/2 states for Yb+ ion**Project supported by the National Natural Science Foundation of China (Grant No. 11874064), the Strategic Priority and the Research Program of the Chinese Academy of Sciences (Grant No. XDB21030300), the National Key Research and Development Program of China (Grant No. 2016YFA0302104). Yong Liu acknowledges the Project

Abstract

Electric quadrupole moments of low-lying excited states of Yb+ are calculated by relativistic coupled-cluster theory with perturbations from external fields. The field-dependent energy differentiation provides accurate values of the electric quadrupole moments of 2P3/2, 2D3/2,5/2, and 2F5/2,7/2 states which agree well with experimental values. The important role of the electronic correlation to the electric quadrupole moments is investigated. Our calculations indicate the early dispute of the electric quadrupole moment of the Yb+(2F7/2) state for which the measured and theoretical values have a large discrepancy. These electric quadrupole moment values can help us to determine the electric quadrupole shifts in start-of-the-art experiments of the Yb+ ion.