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Coupled cluster description of anharmonic molecular vibrations. Application to O3 and SO2

✍ Scribed by V. Nagalakshmi; V. Lakshminarayana; G. Sumithra; M. Durga Prasad

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
345 KB
Volume
217
Category
Article
ISSN
0009-2614

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✦ Synopsis

The coupled cluster method is applied to the calculation of vibrational levels of O3 and SO1 and compared with the self consistent field approximation (SCF) and accurate quantum calculations. It is found that CCM truncated at the S4 level provides a marginally better description than SCF for the ground and low-lying excited states.

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The viironic satellites due to coupling with OH or OD vibrations of the 312 run fluorescent emkion line from the 6P ,,1 excited level of Gd3+ in aqueous solution of the perchlorate salt were observed. in Hz0 the shifts mnespond to the OH stretching (and Hz0 ber&g) frequencies, with correspondingly d