Extended Data Fig. 5: Calculated electron–positron contact densities and positron lifetimes with respect to annihilation.
From: Many-body theory of positron binding to polyatomic molecules
a, Fractional contribution of individual molecular orbitals to the total electron–positron contact density (equation (6)). b, c, The electron–positron contact density (magenta) at the ΣGW+Γ+Λ level for the (doubly degenerate) HOMO and (H−2)OMO in acetonitrile (blue and brown show negative and positive electron wavefunction regions, respectively), compare with Fig. 2c (positron density). d, Positron lifetimes with respect to annihilation. τ(0): lifetime calculated in the Hartree–Fock independent particle approximation excluding the vertex enhancement factors and using a positron wavefunction normalized to unity; τGW and τ: lifetime calculated using the Dyson positron wavefunction at the ΣGW and ΣGW+Γ+Λ levels including vertex enhancement factors and renormalization constants (equations (6), (7)).
