TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A' | 0.147 | 4.267 eV |
| ▸ | S2 | A' | 0.052 | 4.570 eV |
| ▸ | S3 | A' | 0.295 | 4.901 eV |
| ▸ | S4 | A' | 0.699 | 5.116 eV |
| ▸ | S5 | A' | 0.193 | 5.445 eV |
| ▸ | S6 | A' | 0.691 | 5.599 eV |
| ▸ | S7 | A' | 0.170 | 5.869 eV |
| ▸ | S8 | A" | 0.000 | 5.939 eV |
| ▸ | S9 | A' | 0.111 | 5.997 eV |
| ▸ | S10 | A" | 0.000 | 6.003 eV |
| ▸ | S11 | A' | 0.604 | 6.145 eV |
| ▸ | S12 | A" | 0.000 | 6.175 eV |
| ▸ | S13 | A' | 0.227 | 6.228 eV |
| ▸ | S14 | A' | 0.043 | 6.468 eV |
| ▸ | S15 | A' | 0.007 | 6.505 eV |
| ▸ | S16 | A" | 0.000 | 6.516 eV |
| ▸ | S17 | A' | 0.044 | 6.699 eV |
| ▸ | S18 | A' | 0.070 | 6.844 eV |
| ▸ | S19 | A" | 0.001 | 6.886 eV |
| ▸ | S20 | A' | 0.006 | 6.924 eV |
| ▸ | S21 | A" | 0.000 | 6.985 eV |
| ▸ | S22 | A' | 0.032 | 6.996 eV |
| ▸ | S23 | A" | 0.000 | 7.044 eV |
| ▸ | S24 | A" | 0.004 | 7.086 eV |
| ▸ | S25 | A' | 0.416 | 7.137 eV |
| ▸ | S26 | A" | 0.000 | 7.184 eV |
| ▸ | S27 | A' | 0.183 | 7.217 eV |
| ▸ | S28 | A' | 0.081 | 7.233 eV |
| ▸ | S29 | A" | 0.000 | 7.235 eV |
| ▸ | S30 | A" | 0.002 | 7.296 eV |
| ▸ | S31 | A' | 0.166 | 7.347 eV |
| ▸ | S32 | A" | 0.000 | 7.368 eV |
| ▸ | S33 | A" | 0.003 | 7.442 eV |
| ▸ | S34 | A" | 0.003 | 7.512 eV |
| ▸ | S35 | A' | 0.365 | 7.550 eV |
| ▸ | S36 | A" | 0.000 | 7.591 eV |
| ▸ | S37 | A' | 0.046 | 7.630 eV |
| ▸ | S38 | A" | 0.001 | 7.729 eV |
| ▸ | S39 | A" | 0.003 | 7.759 eV |
| ▸ | S40 | A' | 0.315 | 7.790 eV |
| ▸ | S41 | A" | 0.005 | 7.824 eV |
| ▸ | S42 | A" | 0.002 | 7.841 eV |
| ▸ | S43 | A' | 0.273 | 7.883 eV |
| ▸ | S44 | A" | 0.001 | 7.902 eV |
| ▸ | S45 | A" | 0.001 | 7.915 eV |
| ▸ | S46 | A' | 0.261 | 7.989 eV |
| ▸ | S47 | A" | 0.004 | 8.026 eV |
| ▸ | S48 | A" | 0.000 | 8.064 eV |
| ▸ | S49 | A" | 0.002 | 8.087 eV |
| ▸ | S50 | A" | 0.002 | 8.170 eV |
| ▸ | S51 | A' | 0.115 | 8.173 eV |
| ▸ | S52 | A" | 0.000 | 8.242 eV |
| ▸ | S53 | A" | 0.000 | 8.255 eV |
| ▸ | S54 | A" | 0.001 | 8.275 eV |
| ▸ | S55 | A' | 0.050 | 8.339 eV |
| ▸ | S56 | A" | 0.000 | 8.359 eV |
| ▸ | S57 | A' | 0.000 | 8.361 eV |
| ▸ | S58 | A' | 0.014 | 8.407 eV |
| ▸ | S59 | A" | 0.000 | 8.413 eV |
| ▸ | S60 | A" | 0.002 | 8.438 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -21829.81
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 12:49:07
Added 2026-09-10 20:08:48
Legacy ID None
System
Full Name 5,12-Dihydroindolo[3,2-c]carbazole
Short Name 5,12-dihydroindolo[3,2-c]carbazole
PubChem CID 4713445
Formula C18H12N2
Mass 256.3 u
Point Group Cs
Orientation xy
Aliases
5,12-Dihydroindolo[3,2-a]carbazole
5H,12H-Indolo[3,2-a]carbazole
5H,12H-INDOLO[3,2-C]CARBAZOLE
Indolo[3,2-a]carbazole, 5,12-dihydro-
Geometry
Light
Momentum Space
k-Path
Detector
Real Space
Spectrum
Units
Atoms
Visibility
Orbital
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Scene
Composition
Hole Position
| ID | XC Functional | Basis Set | Code | Charge | Spin | Casida | Legacy |
|---|---|---|---|---|---|---|---|
| 1372 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix