Conductance of single-molecule
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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 ]])
