During the last 20 years the end of the periodic table has been a subject of both
experimental and theoretical interest. Discovery of new elements and their long-lived …

The two basictheories of modernphysics are the theory of relativity and quantum mechanics.
While the importance of the latter in chemistry was instantly recognized, it was not until the …

In the last century, three parallel developments have contributed greatly to our
understanding of the elec-tronic structure of the chemicalelements. First, the application of …

Publisher Summary This chapter provides a summary of the relativistic calculations on
multielectron or multicenter problems. The Dirac–Fock Hamiltonian and the main quantum …

A recently published scheme for obtaining an approximate solution of the Dirac-Hartree-
Fock equations for an atom is adapted and applied to the related Dirac-Slater problem. For a …

The perturbative treatment of relativistic effects proposed in Part I of this series is extended to
molecular systems within the framework of the analytical Hartree-Fock-Slater method using …

A recently proposed perturbational approach to relativistic calculations on molecules has
been applied to a number of compounds containing heavy elements. Comparison of …

A method is presented whereby time-reversal symmetry may be fully exploited in systems
exhibiting Kramers' degeneracy. A basis adapted to time-reversal symmetry, ie consisting of …

Electronic structures of small Ni, Pd, and Pt clusters containing atomic hydrogen have been
calculated by the SCF Xα SW method, including relativistic effects. Hydrogen metal …

The origin of the well-established relativistic bond contractions is investigated in the Au 2,
AuH and AuCl model systems. It is shown that, contrary to popular belief, this contraction is …