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 P11 states of the beryllium atom. The states correspond to the electron configurations 1 s2 2 s1 n p1, 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.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics