Table 2

INV gates
1,6-heptadiene 1,8-nonadiene 1,4-diallyl butane
Pd Po Po* Po Po* Po Po*
0.0 −0.068 0 −0.058 0 −2.3 E-05 0
0.1 −0.126 −0.101 −0.217 −0.207 −0.987 −0.974
0.2 −0.191 −0.200 −0.398 −0.389 −0.987 −0.993
0.3 −0.260 −0.293 −0.534 −0.536 −0.989 −0.997
0.4 −0.323 −0.378 −0.630 −0.646 −0.990 −0.998
0.5 −0.378 −0.455 −0.695 −0.726 −0.992 −0.998
0.6 −0.423 −0.523 −0.740 −0.785 −0.994 −0.999
0.7 −0.460 −0.582 −0.771 −0.828 −0.996 −0.999
0.8 −0.490 −0.633 −0.793 −0.861 −0.997 −0.999
0.9 −0.513 −0.677 −0.808 −0.885 −0.998 −0.999
1.0 −0.531 −0.715 −0.818 −0.904 −0.999 −0.999
RMSE* 0.104 0.050 0.006

When there is a single driver, the change in the sign of the input will result in a change in the sign of output polarization. The negative inputs have been omitted to reduce the size of the table.

Po and Po* denote the calculated output polarizations based on the SA/CASSCF and TSM methods respectively.

RMSE* represents the root mean square errors of Po and Po*.

Rahimi and Nejad

Rahimi and Nejad Nanoscale Research Letters 2012 7:274   doi:10.1186/1556-276X-7-274

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