Diatomic molecule as a quantum entanglement switch

Abstract

We investigate a pair entanglement of electrons in diatomic molecule, modeled as a correlated double quantum dot attached to the leads. The low-temperature properties are derived from the ground state obtained by utilizing the Rejec-Ramsak variational technique within the framework of EDABI method, which combines exact diagonalization with ab initio calculations. The results show, that single-particle basis renormalization modifies the entanglement-switch effectiveness significantly. We also found the entanglement signature of a competition between an extended Kondo and singlet phases.