Entanglement between electronic and vibrational degrees of freedom in a laser-driven molecular system
Mihaela Vatasescu · Physical Review A · 2013
We investigate the entanglement between electronic and vibrational degrees of freedom produced by a vibronic coupling in a molecular system described in the Born-Oppenheimer approximation. Entanglement in a pure state of the Hilbert space $\mathcal{H}={\mathcal{H}}_{\mathrm{el}}⨂{\mathcal{H}}_{\mathrm{vib}}$ is quantified using the von Neumann entropy of the reduced density matrix and the reduced linear entropy. Expressions for these entanglement measures are derived for the $2\ifmmode\times\else\texttimes\fi{}{N}_{v}$ and $3\ifmmode\times\else\texttimes\fi{}{N}_{v}$ cases of the bipartite entanglement, where 2 and 3 are the dimensions of the electronic Hilbert space $\mathcal{H}$${}_{\mathrm{el}}$, and ${N}_{v}$ is the dimension of $\mathcal{H}$${}_{\mathrm{vib}}$. We study the entanglement dynamics for two electronic states coupled by a laser pulse (a $2\ifmmode\times\else\texttimes\fi{}{N}_{v}$ case), taking as an example a coupling between the ${a}^{3}{{\ensuremath{\Sigma}}_{u}}^{+}(6s,6s)$ and ${1}_{g}(6s,6{p}_{3/2})$ states of the Cs${}_{2}$ molecule. The reduced linear entropy expression obtained for the $3\ifmmode\times\else\texttimes\fi{}{N}_{v}$ case is used to follow the entanglement evolution in a scheme proposed for the control of the vibronic dynamics in a Cs${}_{2}$ cold molecule, implying the ${a}^{3}{{\ensuremath{\Sigma}}_{u}}^{+}(6s,6s)$, ${0}_{g}{}^{\ensuremath{-}}(6s,6{p}_{3/2})$, and ${0}_{g}{}^{\ensuremath{-}}(6s,5d)$ electronic states, which are coupled by a nonadiabatic radial coupling and a sequence of chirped laser pulses.