A theoretical study on lower electronic states of CoN
作者： Takayoshi Yamaki , Masahiro Sekiya , Kiyoshi Tanaka
DOI: 10.1016/S0009-2614(03)01035-2
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摘要: Abstract In order to identify the ground state of CoN, we carried out calculations multi-reference single and double excitation configuration interaction with Davidson-type correction coupled pair approximation (MRCPA). MRCPA predicts that 1Σ+ is CoN. The 5 Δ lies only 0.223 eV above 1Σ+. Internuclear equilibrium distance, harmonic frequency, rotational constants agree well experimental results.
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