RELATIVISTIC CALCULATION OF THE HYPERFINE STRUCTURE PARAMETERS FOR COMPLEX ATOMS WITHIN MANY-BODY PERTURBATION THEORY

Calculation of Dissociation Energies Using Many - Body Perturbation Theory

A major task for theoretical chemists is the development of methods to predict energy differences with chemical accuracy. Most quantum chemists agree that accurate prediction of relative energies requires application of theories that include electron correlation effects, effects not treated in self-consistent-field (SCF) calculations [1-4]. Estimates of molecular correlation energy have been ob...

Relativistic many - body calculation of energies , lifetimes , hyperfine constants , and polarizabilities in 7

The excitation energies of ns, np, nd, and nf n 6 states in neutral lithium are evaluated within the framework of relativistic many-body theory. First-, second-, third-, and all-order Coulomb energies and firstand second-order Breit corrections to energies are calculated. All-order calculations of reduced matrix elements, oscillator strengths, transition rates, and lifetimes are given for level...

Relativistic many-body calculation of energies, lifetimes, hyperfine constants, and polarizabilities in Li

Excitation energies of ns, np, nd, and nf (n ≤ 6) states in neutral lithium are evaluated within the framework of relativistic many-body theory. First-, second-, third-, and all-order Coulomb energies and firstand second-order Breit corrections to energies are calculated. All-order calculations of reduced matrix elements, oscillator strengths, transition rates, and lifetimes are given for level...

Relativistic Calculation of Hyperfine Parameters of Mercury Compounds

The normalized elimination of the small component (NESC) method is a Dirac-exact relativistic method that leads to reliable first order response properties such as contact densities, Mössbauer shifts, electric field gradients, quadrupole coupling constants, or hyperfine structure constants for heavy atoms. In this review, the calculation of these hyperfine parameters with a NESC analytical deri...

Relativistic calculations of pionic and kaonic atoms hyperfine structure