Conductance of single-molecule

Using Tight Binding Method

Lead Hamiltonians:

H_lead = np.array([[ 0. , -1. ,  0.2,  0. ],
                   [-1. ,  0. , -1. ,  0.2],
                   [ 0.2, -1. ,  0. , -1. ],
                   [ 0. ,  0.2, -1. ,  0. ]])

Scattering Hamiltonian:

H_scat = np.array([[ 0., -1 ,   0,   0,  0, 0. ],
                   [-1 ,  0 , 0.2,   0,  0, 0. ],
                   [ 0 ,0.2 ,   0,-0.8,  0, 0. ],
                   [ 0 ,  0 ,-0.8,   0,0.2, 0. ],
                   [ 0 ,  0 ,   0, 0.2,  0,-1 ],
                   [ 0 ,  0 ,   0,   0, -1, 0 ]])