TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A" | 0.000 | 3.942 eV |
| ▸ | S2 | A' | 0.056 | 4.083 eV |
| ▸ | S3 | A' | 0.538 | 4.549 eV |
| ▸ | S4 | A' | 0.007 | 5.322 eV |
| ▸ | S5 | A' | 0.824 | 5.786 eV |
| ▸ | S6 | A' | 0.089 | 5.894 eV |
| ▸ | S7 | A' | 0.547 | 6.022 eV |
| ▸ | S8 | A' | 0.092 | 6.320 eV |
| ▸ | S9 | A" | 0.000 | 6.328 eV |
| ▸ | S10 | A' | 0.001 | 6.463 eV |
| ▸ | S11 | A" | 0.000 | 6.831 eV |
| ▸ | S12 | A' | 0.198 | 6.859 eV |
| ▸ | S13 | A' | 0.458 | 6.978 eV |
| ▸ | S14 | A" | 0.000 | 7.092 eV |
| ▸ | S15 | A" | 0.001 | 7.134 eV |
| ▸ | S16 | A" | 0.001 | 7.208 eV |
| ▸ | S17 | A' | 0.018 | 7.284 eV |
| ▸ | S18 | A" | 0.002 | 7.402 eV |
| ▸ | S19 | A" | 0.001 | 7.420 eV |
| ▸ | S20 | A" | 0.001 | 7.440 eV |
| ▸ | S21 | A' | 0.038 | 7.512 eV |
| ▸ | S22 | A" | 0.000 | 7.543 eV |
| ▸ | S23 | A' | 0.428 | 7.670 eV |
| ▸ | S24 | A" | 0.001 | 7.747 eV |
| ▸ | S25 | A" | 0.007 | 7.782 eV |
| ▸ | S26 | A' | 0.101 | 7.792 eV |
| ▸ | S27 | A" | 0.000 | 7.907 eV |
| ▸ | S28 | A' | 0.004 | 7.961 eV |
| ▸ | S29 | A" | 0.001 | 8.012 eV |
| ▸ | S30 | A' | 0.073 | 8.107 eV |
| ▸ | S31 | A" | 0.001 | 8.152 eV |
| ▸ | S32 | A" | 0.000 | 8.181 eV |
| ▸ | S33 | A' | 0.026 | 8.212 eV |
| ▸ | S34 | A" | 0.001 | 8.245 eV |
| ▸ | S35 | A" | 0.006 | 8.324 eV |
| ▸ | S36 | A" | 0.000 | 8.343 eV |
| ▸ | S37 | A' | 0.291 | 8.403 eV |
| ▸ | S38 | A" | 0.000 | 8.404 eV |
| ▸ | S39 | A" | 0.003 | 8.484 eV |
| ▸ | S40 | A" | 0.001 | 8.530 eV |
| ▸ | S41 | A' | 0.095 | 8.558 eV |
| ▸ | S42 | A" | 0.000 | 8.584 eV |
| ▸ | S43 | A' | 0.025 | 8.649 eV |
| ▸ | S44 | A" | 0.001 | 8.666 eV |
| ▸ | S45 | A' | 0.081 | 8.689 eV |
| ▸ | S46 | A" | 0.001 | 8.695 eV |
| ▸ | S47 | A' | 0.219 | 8.755 eV |
| ▸ | S48 | A" | 0.003 | 8.839 eV |
| ▸ | S49 | A" | 0.000 | 8.842 eV |
| ▸ | S50 | A" | 0.001 | 8.887 eV |
| ▸ | S51 | A" | 0.000 | 8.970 eV |
| ▸ | S52 | A" | 0.002 | 8.980 eV |
| ▸ | S53 | A" | 0.000 | 9.024 eV |
| ▸ | S54 | A" | 0.002 | 9.104 eV |
| ▸ | S55 | A" | 0.005 | 9.122 eV |
| ▸ | S56 | A" | 0.001 | 9.176 eV |
| ▸ | S57 | A' | 0.003 | 9.193 eV |
| ▸ | S58 | A" | 0.001 | 9.221 eV |
| ▸ | S59 | A" | 0.000 | 9.253 eV |
| ▸ | S60 | A' | 0.119 | 9.280 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -17152.89
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 09:10:45
Added 2026-09-10 20:23:55
Legacy ID None
System
Full Name 9H-carbazole-2-carbaldehyde
Short Name 9h-carbazole-2-carbaldehyde
PubChem CID 12169810
Formula C13H9NO
Mass 195.2 u
Point Group Cs
Orientation xy
Geometry
Light
Momentum Space
k-Path
Detector
Real Space
Spectrum
Units
Atoms
Visibility
Orbital
Click the colorbar to add a stop, a stop to recolour it, drag to move it, right-click to remove it.
Scene
Composition
Hole Position
| ID | XC Functional | Basis Set | Code | Charge | Spin | Casida | Legacy |
|---|---|---|---|---|---|---|---|
| 1440 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix