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Ab initio potential curves for the lowest 1Σ+ and 3Π states of the ion CN+

✍ Scribed by David M. Hirst

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
247 KB
Volume
65
Category
Article
ISSN
0009-2614

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✦ Synopsis

Ab initio contiguration-interaction calculations using a 9sSpl3s2p gaussian basis supplemented with polarization functions are presented for potential curves for the a 'Z+and the louest 3~ state of CN+_ The txxo states arc very close in energy and calculations at this ievel do not give an unequivocal indication of the identity of the ground state.

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