Relativistic calculations of the ground state energies and the critical distances for one-electron homonuclear quasi-molecules

摘要

The ground-state energies of one-electron homonuclear quasi-molecules for the nuclear charge number in the range Z = 1 - 100 at the "chemical'' distances R = 2/Z (in a.u.) are calculated. The calculations are performed for both point- and extended-charge nucleus cases using the Dirac-Fock-Sturm approach with the basis functions constructed from the one-center Dirac-Sturm orbitals. The critical distances R-cr, at which the ground-state level reaches the edge of the negative-energy Dirac continuum, are calculated for homonuclear quasi-molecules in the range: 85 <= Z <= 100. It is found that in case of U-2(183+) the critical distance R-cr - 38.42 fm for the point- charge nuclei and R-cr - 34.72 fm for extended nuclei. (C) 2015 Elsevier B.V. All rights reserved.