Quasi-classical modeling of molecular quantum-dot cellular automata multidriver gates

Table 4 Three-driver MinV gates

P _d1	P _d2	P _d3	1,6-heptadiene		1,8-nonadiene		1,4-diallyl butane
P _d1	P _d2	P _d3	P _o	P _o ^*	P _o	P _o ^*	P _o	P _o ^*
0	0	0	−0.005	0	−0.015	0	−0.001	0
0.2	0.2	1	−0.605	−0.819	−0.826	−0.947	−0.993	−0.999
0.4	0.2	0.6	−0.596	−0.775	−0.825	−0.930	−0.996	−0.999
0.6	−0.2	1	−0.610	−0.819	−0.826	−0.947	−0.993	−0.999
0.8	0.2	−1	−0.064	0	−0.289	0	−0.992	0
1	−0.4	1	−0.617	−0.853	−0.828	−0.959	−0.989	−0.999
0.4	−0.2	−0.2	−0.061	0	−0.143	0	−0.954	0
1	−0.2	1	−0.627	−0.878	−0.832	−0.967	−0.984	−0.999
0.6	−0.8	−0.2	0.197	0.378	0.377	0.646	0.988	0.998
−0.4	−0.8	−0.8	0.639	0.898	0.837	0.973	0.993	0.999
0.6	0.8	1	−0.617	−0.950	−0.836	−0.981	−0.969	−0.999
1	1	1	−0.634	−0.926	−0.830	−0.987	−0.957	−0.999
RMSE^*			0.213		0.162		0.397
RMSE^**			0.244		0.153		0.019

P_o and P_o^* denote the calculated output polarizations based on the SA/CASSCF and TSM methods, respectively.
RMSE^* has been calculated based on P_o(P_d1, P_d2, P_d3) and P_o^*(P_d1 + P_d2 + P_d3).
RMSE^** has been recalculated when points with P_o^*= 0 have been omitted.