Potential energy curves for neutral and multiply charged carbon monoxide

Pramana

N Sathyamurthy1 2 3¹  Pradeep Kumar¹ 

[1] Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur 208 016, India$$

关键词: Potential energy curves;    ab initio calculations;    multiply charged;    excited states;    multireference configuration interaction.;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

Potential energy curves of various electronic states of CO𝑛+ (0 ≤ 𝑛 ≤ 6) are generated at MRCI/CASSCF level using cc-pvQZ basis set and the results are compared with available experimental and theoretical data.

【 授权许可】

Unknown