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Role of initial-state electron correlation in one-photon double ionization of atoms and molecules
Physical Review A
By decomposing the initial state wave function into its unique natural orbital expansion, as defined in the 1950s by Löwdin and used in modern studies of entanglement, we analyze the role of electron correlation in the initial state of an atom or molecule in determining the angular distribution of onephoton double ionization. Final state correlation of the two ejected electrons is treated completely in numerically accurate calculations as the initial states of He, H − and H2 are built up fromdoi:10.1103/physreva.99.013403 fatcat:owoluk2fvfe5lmi3es66rrss24