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. 2019 Jul 9;7:377. doi: 10.3389/fchem.2019.00377

Figure 35.

Figure 35

Ionization spectrum of pyridine. G0W0@PBE0 QP energies compared to the experimental photoemission spectrum (Liu et al., 2011). The calculated spectrum has been artificially broadened; the position of the QP energies is indicated with vertical bars. All QP energies are extrapolated using the cc-pVnZ (n=3–6) basis sets, see Appendix C for further computational details. The QPs of the first valence states are colored in red, green and blue.