A theoretical investigation of the A3Π–X3Σ− transition in SO
作者： Antonio Carlos Borin , Fernando R. Ornellas
DOI: 10.1016/S0009-2614(00)00406-1
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摘要: Abstract Complete-active-space self-consistent-field and multireference configuration interaction methods, correlation-consistent polarized-valence quintuple-zeta basis sets, including up to g-functions, were used describe the A 3 Π – X Σ − transition of SO radical. Potential energy curves, dipole moments over a wide range internuclear distances, radiative lifetimes for state are reported.
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