Potential energy curves for neutral and multiply charged carbon monoxide

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Date

2010

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Indian Academy of Sciences

Abstract

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.

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Only IISERM authors are available in the record.

Keywords

Ab initio calculations, Basis sets, Multi reference configuration interactions, Potential energy curves

Citation

Pramana - Journal of Physics, 74 (1), pp. 49-55.

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http://link.springer.com/article/10.1007%2Fs12043-010-0006-y?LI=true#page-1

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