Entangling and disentangling many-electron quantum systems with an electric field

Abstract

We show that the electron correlation of a molecular system can be enhanced or diminished through the application of a homogeneous electric field antiparallel or parallel to the system's intrinsic dipole moment. More generally, we prove that any external stimulus that significantly changes the expectation value of a one-electron operator with nondegenerate minimum and maximum eigenvalues can be used to control the degree of a molecule's electron correlation. Computationally, the effect is demonstrated in ${\mathrm{HeH}}^{+}, {\mathrm{MgH}}^{+}$, BH, HCN, ${\mathrm{H}}_{2}\mathrm{O}$, HF, formaldehyde, and a fluorescent dye. Furthermore, we show in calculations with an array of formaldehyde (${\mathrm{CH}}_{2}\mathrm{O}$) molecules that the field can control not only the electron correlation of a single formaldehyde molecule but also the entanglement among formaldehyde molecules. The quantum control of correlation and entanglement has potential applications in the design of molecules with tunable properties and the stabilization of qubits in quantum computations.