Pekar bipolaron and the virial theorem (arbitrary coupling)

• Published in: Semiconductor Physics Quantum Electronics & Optoelectronics
• Date: 2014
• Main Author: Kashirina, N.I.
• Format: Article
• Language: English
• Published: Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України 2014
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/118494
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: 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.