Pekar bipolaron and the virial theorem (arbitrary coupling)

• Veröffentlicht in: Semiconductor Physics Quantum Electronics & Optoelectronics
• Datum: 2014
• 1. Verfasser: Kashirina, N.I.
• Format: Artikel
• Sprache: English
• Veröffentlicht: Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України 2014
• Online Zugang: https://nasplib.isofts.kiev.ua/handle/123456789/118494
• Назва журналу: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Zitieren: Pekar bipolaron and the virial theorem (arbitrary coupling) / N.I. Kashirina // Semiconductor Physics Quantum Electronics & Optoelectronics. — 2014. — Т. 17, № 3. — С.260-267. — Бібліогр.: 30 назв. — англ.

The work is devoted to issues related with implementation of the virial theorem for one-center bipolaron. The virial theorem expressions have been obtained for an electron system with Coulomb interactions in the phonon field. It is shown that for the bipolaron functional (one-center configuration) virial theorem holds for arbitrary electron-phonon coupling. As a specific example of the virial theorem for one-center bipolaron configuration, the author adduces numerical calculations of the energy of the ground state and the various contributions (kinetic energy, electron-phonon interaction, electron energy, phonon energy) into the energy of bipolaron, performed within the framework of Buimistrov-Pekar method. It is shown that the virial theorem is fulfilled with high accuracy for the two-electron systems with Coulomb interactions for an arbitrary value electron-phonon coupling. The necessary condition for formation of a bipolaron stable state is accounting electron correlations associated with the direct dependence of the trial electron wave function of the system from the interelectron distance.