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Lowest ^{2}S Electronic Excitations of the Boron Atom
Sergiy Bubin1, Ludwik Adamowicz2,3
1Department of Physics, School of Science and Technology, Nazarbayev University, Astana 010000, Kazakhstan.
Abstract:
A theoretical ab initio approach for calculating bound states of small atoms is developed and implemented. The approach is based on finite-nuclear-mass [non-Born-Oppenheimer (non-BO)] nonrelativistic variational calculations performed with all-particle explicitly correlated Gaussian functions and includes the leading relativistic and quantum electrodynamics energy corrections determined using the non-BO wave functions. The approach is applied to determine the total and transition energies for the lowest four ^{2}S electronic excitations of the boron atom. The transition energies agree with the available experimental values within 0.2-0.3 cm^{-1}. Previously, such accuracy was achieved for three- and four-electron systems.
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