✦ LIBER ✦

On the calculation of the excited states of small molecules

✍ Scribed by Melvyn H. Wood

Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 549 KB
Volume: 28
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(74)80082-5

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✦ Synopsis

The excited states of CO, 1120 and NH; have been c&Wed by the singly excjted canfipuration interaction method using two large basis sets, one of which contained diffuse functions in order to dcscrldi Rydberg states-Results are found to be in good agreement with experiment for both excitation energies nnd oscil!ator strengths for the tinnsitionsfrom the go&d stitc.

Vol&ne 28, number 4 .'

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