Pekar bipolaron and the virial theorem (arbitrary coupling)
N. I. Kashirina, 41, prospect Nauky, 03028 Kyiv, Ukraine
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.
Semiconductor Physics Quantum Electronics & Optoelectronics•Sep 30, 2014•2 citations