Entanglement in double photoionization of rotating linear molecules
Naresh Chandra, Rupamanjari Ghosh · Physical Review A · 2004
This paper investigates the relationship, if any, which may exist between the electron-electron correlation and spin entanglement of two electrons ejected simultaneously from a linear molecule following the absorption of a single photon. In order to properly learn about the influence of the molecular dynamics on this relationship and also to take into account the parity of the molecular states, double photoionization has been studied by including rotational degrees of freedom in the Hund's coupling schemes (a) and (b). Entanglement properties of the ejected pair of electrons with respect to their spins have been investigated in each of these coupling schemes without or with taking spin dependent interactions into account. The existence, or otherwise, of the entanglement is predicted on the basis of the negativity of the partial transpose of the density matrix calculated for each case considered in this paper.