Calculations of low-lying 1P states of the beryllium atom

Abstract

High-accuracy nonrelativistic variational calculations employing explicitly correlated Gaussian basis functions have been performed to determine the energies and the expectation values of some operators for the lowest four 1P1 states of the beryllium atom. The states correspond to the electron configurations 1s22s1np1, where n=2, 3, 4, and 5. The calculations were performed for both finite and infinite mass of the Be nucleus. The basis set for each state was grown to the level of 5000 Gaussians. With that many functions we achieved a tight energy convergence. The reported values, to the best of our knowledge, are the most accurate ever obtained for the four states