Relativistic configuration-interaction calculation ofKα transition energies in beryllium-like argon

Hylleraas-configuration-interaction nonrelativistic energies for the ¹S ground states of the beryllium isoelectronic sequence.

In a previous work, Sims and Hagstrom ["Hylleraas-configuration-interaction study of the 1 (1)S ground state of neutral beryllium," Phys. Rev. A 83, 032518 (2011)] reported Hylleraas-configuration-interaction (Hy-CI) method variational calculations for the (1)S ground state of neutral beryllium with an estimated accuracy of a tenth of a microhartree. In this work, the calculations have been ext...

Analytic Gradients of Configuration Interaction Energies

Calculation of converged rovibrational energies and partition function for methane using vibrational-rotational configuration interaction.

The rovibration partition function of CH4 was calculated in the temperature range of 100-1000 K using well-converged energy levels that were calculated by vibrational-rotational configuration interaction using the Watson Hamiltonian for total angular momenta J = 0-50 and the MULTIMODE computer program. The configuration state functions are products of ground-state occupied and virtual modals ob...

Large - scale relativistic configuration - interaction calculation of the 2 s 2 1 S 0 – 2 s 2 p 3 P 1 intercombination transition in C III

A large-scale, relativistic configuration-interaction ~RCI! method has been developed for precision calculations of transition oscillator strengths. It is based on the no-pair Hamiltonian and employs finite B-spline basis functions. For the 2s S0 –2s2p P1 intercombination transition in berylliumlike carbon, the present RCI expansions reach close to 200 000 configurations, and include all single...

Relativistic Configuration Interaction Calculations for Lanthanide and Actinide Anions