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I was wondering if anybody has any experience doing these calculations? I understand the basic concepts ( eg. k is considered far away from the BZ edge and thus is small and that the Bloch function is the linear combination of the individual Bloch functions at k=0 ). Also, the inner products are done over the primative unit cell. These individual band Bloch functions are constructed by a basis of S and P orbitals.

My question is how do we take into account he geometry of the system. Since the Hamiltonian matrix elements are taken just over the primative unit cell how do we figure in the size effects for quantum dot calculations ? Thanks.

Regards

Modey3

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# KP Theory Bandstructure Calculations

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