The quantum-mechanical position operator and the polarization problem

نویسنده

  • Raffaele Resta
چکیده

The position operator (defined within Schrödinger representation as usual) becomes meaningless when the usual Born-von Kármán periodic boundary conditions are adopted: this fact is at the root of the polarization problem. I show how to define the position expectation value by means of rather peculiar many–body (multiplicative) operator acting on the wavefunction of the extended system. This definition can be regarded as the generalization of a precursor work, apparently unrelated to the polarization problem. For uncorrelated electrons, the present finding coincides with the so–called “single–point Berry phase” formula, which can hardly be regarded as the approximation of a continuum integral, and is computationally very useful for disordered systems. Simulations which are based on this concept are being performed by several groups.

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تاریخ انتشار 1998