Relativistic coupled cluster method. Excitation and ionization energies of Sr and Yb atom

Abstract

Relativistic coupled cluster method (CCM) is applied to compute the low lying excited and ion states of strontium and ytterbium atom. The resulting excitation and ionization energies are in excellent agreement with experimental data and with other correlated calculations. The nuclear magnetic dipole hyperfine constants (A) and electric quadrupole hyperfine constants (B) of excited states are also evaluated and are in accord with experiment. We further address the basis set dependency of the computed properties.