TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A" | 0.000 | 4.083 eV |
| ▸ | S2 | A' | 0.009 | 4.476 eV |
| ▸ | S3 | A' | 0.018 | 4.720 eV |
| ▸ | S4 | A' | 0.586 | 5.191 eV |
| ▸ | S5 | A' | 0.779 | 5.450 eV |
| ▸ | S6 | A' | 0.229 | 5.879 eV |
| ▸ | S7 | A" | 0.000 | 6.150 eV |
| ▸ | S8 | A' | 0.522 | 6.152 eV |
| ▸ | S9 | A" | 0.000 | 6.323 eV |
| ▸ | S10 | A' | 0.264 | 6.455 eV |
| ▸ | S11 | A' | 0.067 | 6.617 eV |
| ▸ | S12 | A' | 0.044 | 6.814 eV |
| ▸ | S13 | A" | 0.000 | 6.941 eV |
| ▸ | S14 | A' | 0.099 | 7.020 eV |
| ▸ | S15 | A' | 0.049 | 7.155 eV |
| ▸ | S16 | A" | 0.001 | 7.247 eV |
| ▸ | S17 | A' | 0.345 | 7.456 eV |
| ▸ | S18 | A" | 0.002 | 7.461 eV |
| ▸ | S19 | A" | 0.001 | 7.523 eV |
| ▸ | S20 | A" | 0.001 | 7.526 eV |
| ▸ | S21 | A" | 0.002 | 7.621 eV |
| ▸ | S22 | A" | 0.001 | 7.675 eV |
| ▸ | S23 | A' | 0.345 | 7.738 eV |
| ▸ | S24 | A" | 0.000 | 7.756 eV |
| ▸ | S25 | A' | 0.100 | 7.770 eV |
| ▸ | S26 | A" | 0.002 | 7.778 eV |
| ▸ | S27 | A" | 0.000 | 7.832 eV |
| ▸ | S28 | A" | 0.006 | 7.937 eV |
| ▸ | S29 | A" | 0.000 | 8.054 eV |
| ▸ | S30 | A" | 0.005 | 8.095 eV |
| ▸ | S31 | A' | 0.123 | 8.139 eV |
| ▸ | S32 | A' | 0.008 | 8.185 eV |
| ▸ | S33 | A" | 0.002 | 8.225 eV |
| ▸ | S34 | A" | 0.000 | 8.301 eV |
| ▸ | S35 | A' | 0.018 | 8.310 eV |
| ▸ | S36 | A" | 0.000 | 8.328 eV |
| ▸ | S37 | A" | 0.000 | 8.336 eV |
| ▸ | S38 | A' | 0.012 | 8.399 eV |
| ▸ | S39 | A" | 0.000 | 8.434 eV |
| ▸ | S40 | A" | 0.000 | 8.510 eV |
| ▸ | S41 | A' | 0.032 | 8.535 eV |
| ▸ | S42 | A" | 0.003 | 8.619 eV |
| ▸ | S43 | A" | 0.000 | 8.635 eV |
| ▸ | S44 | A' | 0.571 | 8.718 eV |
| ▸ | S45 | A" | 0.000 | 8.804 eV |
| ▸ | S46 | A' | 0.035 | 8.867 eV |
| ▸ | S47 | A" | 0.003 | 8.887 eV |
| ▸ | S48 | A" | 0.005 | 8.901 eV |
| ▸ | S49 | A' | 0.111 | 8.907 eV |
| ▸ | S50 | A" | 0.001 | 8.918 eV |
| ▸ | S51 | A" | 0.000 | 8.937 eV |
| ▸ | S52 | A" | 0.001 | 8.948 eV |
| ▸ | S53 | A" | 0.000 | 9.008 eV |
| ▸ | S54 | A" | 0.005 | 9.049 eV |
| ▸ | S55 | A' | 0.104 | 9.061 eV |
| ▸ | S56 | A' | 0.056 | 9.108 eV |
| ▸ | S57 | A" | 0.000 | 9.163 eV |
| ▸ | S58 | A" | 0.002 | 9.189 eV |
| ▸ | S59 | A" | 0.000 | 9.225 eV |
| ▸ | S60 | A' | 0.061 | 9.233 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -17152.97
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 09:12:59
Added 2026-09-10 21:01:19
Legacy ID None
System
Full Name 9H-carbazole-3-carbaldehyde
Short Name carbazole-3-carboxaldehyde
PubChem CID 504067
Formula C13H9NO
Mass 195.2 u
Point Group Cs
Orientation xy
Aliases 3-Formylcarbazole
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 |
|---|---|---|---|---|---|---|---|
| 1590 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix