Macroscopic Polarization from Electronic Wavefunctions
| dc.creator | Resta, Raffaele | |
| dc.date | 1999-03-13 | |
| dc.date | 1999-03-30 | |
| dc.date.accessioned | 2026-07-07T03:13:02Z | |
| dc.date.available | 2026-07-07T03:13:02Z | |
| dc.description | 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. | |
| dc.description | 14 pages with 2 figures. Presented at the Sanibel Symposium 1999 | |
| dc.identifier | https://arxiv.org/abs/cond-mat/9903216 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/9903216 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/29140 | |
| dc.subject | Materials Science | |
| dc.title | Macroscopic Polarization from Electronic Wavefunctions | |
| dc.type | text |