Use of non-local l-dependent pseudopotentials in the calculation of the potential energies for the Ba-rare gas systems
作者： E. Czuchaj , F. Rebentrost , H. Stoll , H. Preuss
DOI: 10.1016/0301-0104(93)80182-9
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摘要: Abstract Non-local l -dependent pseudopotentials are used in the CI(SD) calculation of potential energies and dipole transition moments for Ba-rare gas pairs. The adiabatic curves ground state excited singlet states correlated with (6s5d) 1 D (6s6p) P barium terms calculated without fitting to any experimental data concerning systems investigated. effect spin-orbit coupling has not been considered.
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