where () is a complex dielectric function for the frequency , is the dielectric constant at the high-frequency limit, and , , and respectively represent the resonance frequency, the oscillator strength, and the damping constant of the i-th oscillator.
B1u =2.71 | ||
(cm-1) | / | / |
873.8 | 0.62 | 0.0058 |
502.2 | 0.45 | 0.021 |
476.3 | 0.16 | 0.017 |
415.1 | 1.02 | 0.015 |
408.4 | 0.42 | 0.013 |
304.5 | 0.026 | 0.014 |
291.2 | 1.26 | 0.011 |
276.1 | 0.074 | 0.0093 |
B2u =2.66 | ||
(cm-1) | / | / |
984.2 | 0.0071 | 0.0053 |
872.5 | 0.40 | 0.0055 |
838.8 | 0.11 | 0.0096 |
526.5 | 0.18 | 0.025 |
505.9 | 0.042 | 0.012 |
455.8 | 0.19 | 0.020 |
416.4 | 0.28 | 0.015 |
395.0 | 0.47 | 0.014 |
348.2 | 1.21 | 0.017 |
288.6 | 1.65 | 0.016 |
276.5 | 0.11 | 0.012 |
143.4 | 0.075 | 0.014 |
B3u =2.77 | ||
(cm-1) | / | / |
976.4 | 0.33 | 0.0064 |
957.9 | 0.17 | 0.0040 |
841.0 | 0.0029 | 0.0085 |
603.8 | 0.23 | 0.021 |
501.5 | 0.35 | 0.025 |
402.6 | 1.56 | 0.015 |
379.1 | 0.95 | 0.015 |
319.5 | 0.079 | 0.0084 |
294.0 | 0.32 | 0.012 |
274.6 | 0.054 | 0.011 |
200.8 | 0.027 | 0.014 |