Physics – Condensed Matter – Materials Science
Scientific paper
1999-03-13
Physics
Condensed Matter
Materials Science
14 pages with 2 figures. Presented at the Sanibel Symposium 1999
Scientific paper
The dipole moment of any finite and neutral system, having a square-integrable wavefunction, is a well defined quantity. The same quantity is ill-defined for an extended system, whose wavefunction invariably obeys periodic (Born-von Karman) boundary conditions. Despite this fact, macroscopic polarization is a theoretically accessible quantity, for either uncorrelated or correlated many-electron systems: in both cases, polarization is a rather "exotic" observable. For an uncorrelated-either Hartree-Fock or Kohn-Sham-crystalline solid, polarization has been expressed and computed as a Berry phase of the Bloch orbitals (since 1993). The case of a correlated and/or disordered system received a definitive solution only very recently (1998): this latest development allows us present here the whole theory from a novel, and very general, viewpoint. The modern theory of polarization is even relevant to the foundations of density functional theory in extended systems.
No associations
LandOfFree
Macroscopic Polarization from Electronic Wavefunctions does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Macroscopic Polarization from Electronic Wavefunctions, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Macroscopic Polarization from Electronic Wavefunctions will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-425845