More entropy and Schmidt decomposition

As the Hamiltonian eigenstates are pure states, we can evaluate their entanglement by bypassing the construction of the density operator and use the Schmidt decomposition instead. Specifically, for a given two-body wave function \( \vert \Psi\rangle \) expressed in terms of the Hartree product states, we can write

$$ \begin{align*} \vert\Psi\rangle &= \sum_{k = 0}^{N^L} \sum_{l = 0}^{N^R} C_{kl}\vert\phi^L_k \phi^R_l\rangle=\sum_{p = 0}^{\tilde{N}}\sigma_{p}\vert\psi^L_p \psi^R_p\rangle, \end{align*} $$

where \( C_{kl} = \sum_{p = 0}^{\tilde{N}} U_{kp}\sigma_{p} V^{*}_{lp} \) is the singular value decomposition of the two-body coefficients. We have

$$ \begin{gather*} \vert\psi^L_p\rangle\equiv \sum_{k = 0}^{N^L} U_{kp} \vert\phi^L_k\rangle, \qquad \vert\psi^R_p\rangle\equiv \sum_{l = 0}^{N^R} V^{*}_{lp} \vert\phi^R_l\rangle, \end{gather*} $$

are the Schmidt states, \( \tilde{N} \) is either \( N^L \) or \( N^R \) depending on the definition of the singular value decomposition, and \( \sigma_p \) are the singular values with \( \sigma_p^2 \) representing the occupation of the pair \( \vert\psi^L_p \psi^R_p\rangle \).