Calculation of von Neumann entropy for hydrogen and positronium negative ions

In the present work, we carry out calculations of von Neumann entropies and linear entropies for the hydrogen negative ion and the positronium negative ion. We concentrate on the spatial (electron–electron orbital) entanglement in these ions by using highly correlated Hylleraas functions to represent their ground states, and to take care of correlation effects. We apply the Schmidt decomposition method on the partial-wave expanded two-electron wave functions, and from which the one-particle reduced density matrix can be obtained, leading to the quantifications of linear entropy and von Neumann entropy in the H⁻ and Ps⁻ ions. - Highlights: • We calculate von Neumann entropies and linear entropies for hydrogen and positronium negative ions. • We employ highly correlated Hylleraas functions to take into account of correlation effects. • Spatial (electron–electron orbital) entanglement is quantified using the Schmidt decomposition method. • The eigenvalues of the one-particle reduced density matrix are calculated