The dipole oscillator strength distribution and predicted dipole properties for ammonia

Autor: Burton, Gordon R., Chan, Wing Fat, Cooper, Glyn, Brion, C. E., Kumar, Ashok, Meath, William J.
Zdroj: Canadian Journal of Chemistry; March 1993, Vol. 71 Issue: 3 p341-351, 11p
Abstrakt: Newly available and highly accurate oscillator strength data, extending over the continuous energy range from the first excitation threshold to 200 eV, are used together with mixture rule estimates and other photoabsorption data to construct a refined dipole oscillator strength distribution to infinite photon energy using Thomas–Reiche–Kuhn sum rule and molar refractivity constraints. This constrained dipole oscillator strength distribution has been used to calculate a wide range of related dipole properties (Sk, k = 2, 1, 0, −1/2, −1, −3/2, −2, −5/2, −3, −4, −5, −6, −8, −10, −12; Lkand Ik, k = 2, 1, 0, −1, −2). The theoretical analysis and associated consistency checks support the high accuracy of the newly available absolute oscillator strengths for the photoabsorption of NH3.
Databáze: Supplemental Index