CI-MBPT: A package of programs for relativistic atomic calculations based on a method combining configuration interaction and many-body perturbation theory

摘要

This package of programs allows us to carry out relativistic calculations for many-electron atoms and ions. One can find energy levels and a number of atomic properties: g-factors, magnetic-dipole and electric-quadrupole hyperfine structure constants, electric- and magnetic-multipole transition amplitudes, and matrix elements of the parity nonconserving interactions. Method of calculation is based on a combination of conventional configuration interaction (Cl) method and many-body perturbation theory (MBPT). The former explicitly accounts for the interaction between valence electrons, while the latter includes core core and core valence correlations. These two methods are combined to acquire benefits from both approaches and attain better accuracy.