Showing physics.atom-phShow all
2 papers · 1 filter
physics.atom-ph1998
Comment on "Accurate relativistic effective potentials for the sixth-row main group elements" [J.Chem.Phys. 107, 9975 (1997)]
N. Mosyagin, A. Titov
Critical remarks in respect to the Generalized Relativistic Effective Core Potential in the recent article of S.A.Wildman at al. are discussed and shown to be incorrect.
physics.atom-ph1998
All-electron Dirac-Coulomb and RECP calculations of excitation energies for mercury atom with combined CI/MBPT2 method
N. Mosyagin, M. Kozlov, A. Titov
Calculations of transition energies between low-lying states of mercury atom are performed in the frame of combined CI/MBPT2 method. Results of all-electron relativistic calculatio…