Conductance of single-molecule: Difference between revisions
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===Using Tight Binding Method=== | |||
Lead Hamiltonians: | Lead Hamiltonians: | ||
<pre> | <pre> | ||
Revision as of 21:45, 29 November 2012
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 ]])
