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A combined variational and perturbational study on the vibrational spectrum of P2F4

โœ Scribed by Guntram Rauhut; Tomica Hrenar


Book ID
108089016
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
150 KB
Volume
346
Category
Article
ISSN
0301-0104

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## Abstract Restrictedโ€spin coupledโ€cluster singleโ€double plus perturbative triple excitation {RCCSD(T)} potential energy functions (PEFs) of the $ \tilde X $^2^B~2~ state of ScO~2~ and the $ \tilde X $^1^A~1~ state of ScO~2~^โˆ’^ were computed, employing the augmented correlationโ€consistent polarize