Two-centre Dirac-Coulomb operators: Regularity and bonding properties (Q1404919)

The goal of this paper is to analyze several intrinsic spectral properties of the Dirac-Coulomb Hamiltonian in mathematically rigorous way, the smoothness of the Dirac-Coulomb energies as a function of internuclear separation is elucidated, basic properties of the Dirac operator for homonuclear two-centre one-electron systems are studied. The authors consider the precise definition and the self-adjointness behaviour of the studied Dirac-Coulomb operators, establish the lower bound on molecular energies in terms for the ``united atom'' energy, show the regularity of the electronic curves and bonding properties, prove the Feynman-Hellman theorem and give few recent results about variational methods for Dirac eigenvalues. About explicit solutions to the corresponding Schrödinger and Dirac equations [see the reviewer, Formulas for solutions of equations (in Chinese), Kexue Tongbao 30, No. 6, 1211-1214 (1985)].