Table 2 VIEs of the pyrrole dimer.

From: Identification of a new electron-transfer relaxation pathway in photoexcited pyrrole dimers

State

Configuration

VIE

D0, 1A′′

7.77

D1, 1A′′

8.52

D2, 2A′′

8.56

  1. VIE, vertical ionization energy.
  2. VIEs and dominant configurations of the first three cationic states of the pyrrole dimer, calculated at the EOM-IP-CCSD level using the aug-cc-pVDZ basis set. VIEs are given in units of eV.
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