期刊
MOLECULAR PHYSICS
卷 104, 期 3, 页码 377-388出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268970500290367
关键词
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Rayleigh-Schrodinger perturbation theory is applied in second order to obtain an expression for the transition moment of vibrational fundamentals. The reported equation is considerably simpler than previous ones. Applications for H2O and HFCO are reported using force fields and dipole functions calculated at the CCSD(T) level of theory with different basis sets.
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