TY - JOUR
T1 - Calculations of low-lying P1 states of the beryllium atom
AU - Bubin, Sergiy
AU - Adamowicz, Ludwik
PY - 2009/2/2
Y1 - 2009/2/2
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevA.79.022501
DO - 10.1103/PhysRevA.79.022501
M3 - Article
AN - SCOPUS:60349117413
SN - 1050-2947
VL - 79
JO - Physical Review A - Atomic, Molecular, and Optical Physics
JF - Physical Review A - Atomic, Molecular, and Optical Physics
IS - 2
M1 - 022501
ER -