ROKS emission energy with nonequilibrium solvent

Questions
#1

Hello,

I have maybe stupid question regarding calculation of ROKS emission energy with nonequilibrium solvent. To obtain emission energy firstly you need to do ROKS calculation with keyword “RF_ptSS_Save”. Later you need to do ground state calculation with “RF_ptSS_Read” keyword. Ground state SCF with this keyword look like this:

 ---------------------------------------
  Cycle       Energy         DIIS error
 ---------------------------------------
### Frozen reaction-field calculation using stored ESP to compute ASC ###
Reading ESP for state 0 (0 is MP-GS) from file...
... done. Computing ASC and self-interaction...
... done. Updating ref-RF self-interaction (-4.6709e+00 eV) ...
... done. Separating ASC into fast and slow part...
... done. Computing ESP of SCF density and SCF-fRF interaction ...
... done. Initial SCF-fRF interaction is -2.0190e+00 eV.
Now carrying out SCF calculation in frozen ASC:
Adding current polarization work from ref-RF self-interaction (2.3354e+00 eV)
    1    -869.7217001220      1.83e-02
    2    -863.0231616712      1.69e-03
    3    -863.0013280593      1.99e-03
    4    -863.2508362772      3.60e-04
    5    -863.2594108518      1.43e-04
    6    -863.2607969300      4.91e-05
    7    -863.2609653866      1.30e-05
    8    -863.2609811635      3.39e-06
    9    -863.2609830214      1.43e-06
   10    -863.2609834114      4.74e-07
   11    -863.2609834831      2.55e-07
   12    -863.2609835045      9.13e-08
   13    -863.2609835079      4.36e-08
   14    -863.2609835088      1.98e-08
   15    -863.2609835091      9.08e-09  Convergence criterion met

### RF-ptSS: Non-eq. corr. for transition from EqS-Ref state ####
    => ptSS (<i0|Ri^f - R0^f|i0>) term: -3.733068e-01 eV
 ---------------------------------------

If I understand manual correctly (7.8.6 Non-equilibrium Solvation for ROKS andΔSCF‣ 7.8 Restricted Open-Shell and Δ SCF Methods ‣ Chapter 7 Open-Shell and Excited-State Methods ‣ Q-Chem 6.4 User’s Manual) when you subtract ground state SCF energy with frozen field (in my snippet -863.2609835091) from energy of ROKS you will get 0th order emission energy. To get 1st order energy you need to add ptSS correction (-3.733068e-01 eV in my case). My question is if you need to add ptSS correction to ground state energy (E_emi = E_ROKS - (E_GS + E_ptSS)) or to 0th order energy (E_emi = (E_ROKS - E_GS) + E_ptSS)? From manual I get impression that you need to add ptSS correction to ground state energy, but in output snippet you can read that this is correction for transition energy (### RF-ptSS: Non-eq. corr. for transition from EqS-Ref state ####).

Tiopirfur