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 ]])