Table 6 Static first hyperpolarizability tensor of Lycopene calculated using DFT at B3LYP/6-311 level of theory (in a.u. unit) and converted values to esu.
From: On the remarkable nonlinear optical properties of natural tomato lycopene
Static hyperpolarizability | a.u | esu |
|---|---|---|
\(\beta_{xxx}\) | 11,543.00000 | 99.72252 \(\times { }10^{ - 30}\) |
\(\beta_{yyy}\) | − 11.75330 | − 0.1015393 \(\times { }10^{ - 30}\) |
\(\beta_{zzz}\) | − 200.58700 | − 1.732915 \(\times { }10^{ - 30}\) |
\(\beta_{xxy}\) | − 1285.84000 | − 11.10865 \(\times { }10^{ - 30}\) |
\(\beta_{xyy}\) | 198.00000 | 1.710566 \(\times { }10^{ - 30}\) |
\(\beta_{xxz}\) | 944.66600 | 8.161177 \(\times { }10^{ - 30}\) |
\(\beta_{xyz}\) | 3.08147 | 0.02662150 \(\times { }10^{ - 30}\) |
\(\beta_{yyz}\) | 72.36650 | 0.6251901 \(\times { }10^{ - 30}\) |
\(\beta_{xzz}\) | − 82.92250 | − 0.7163857 \(\times { }10^{ - 30}\) |
\(\beta_{yzz}\) | − 90.53260 | − 0.7821310 \(\times { }10^{ - 30}\) |
\(\beta_{x}\) | 11,658.07750 | 100.717E \(\times { }10^{ - 30}\) |
\(\beta_{y}\) | − 1388.12590 | − 11.9923E \(\times { }10^{ - 30}\) |
\(\beta_{z}\) | 816.44550 | 7.05345E \(\times { }10^{ - 30}\) |
\(\left\langle \beta \right\rangle\) | 11,768.78276 | 101.6731 \(\times { }10^{ - 30}\) |
