Nonrelativistic limit of Dirac-Fock codes: the role of Brillouin configurations.

We solve a long standing problem with relativistic calculations done with the widely used multiconfiguration Dirac-Fock method. We show, using relativistic many-body perturbation theory (RMBPT), how, even for relatively high-Z, relaxation or correlation causes the nonrelativistic limit of states of different total angular momentum but identical orbital angular momentum to have different energies. We show that only large scale calculations that include all single excitations, even those obeying Brillouin's theorem, have the correct limit. We reproduce very accurately recent high-precision measurements in F-like Ar, and turn then to a precise test of QED. We obtain the correct nonrelativistic limit not only for fine structure but also for level energies and show that RMBPT calculations are not immune to this problem.

Electron-Impact Cross Sections for Dipole- and Spin-Allowed Excitations of Hydrogen, Helium, and Lithium.

Electron-impact excitation cross sections are presented for the dipole- and spin allowed transitions from the ground states to the np (2)P states for hydrogen and lithium, and to the 1snp (1)P states for helium, n = 2 through 10. Two scaling formulas developed earlier by Kim [Phys. Rev. A 64, 032713 (2001)] for plane-wave Born cross sections are used. The scaled Born cross sections are in excellent agreement with available theoretical and experimental data.