An ab Initio Study of the Ã2Π State and
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Tina Erica Odaka; Tsuneo Hirano; Per Jensen
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Article
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2002
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Elsevier Science
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English
⚖ 304 KB
and references therein) to make a detailed calculation of the rovibronic energies in the first excited electronic state, Ã 2 , of the MgNC radical. This calculation is based on ab initio data (supplemented here with points for larger bending displacements from linearity) calculated at the level of M