TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A1 | 0.039 | 4.525 eV |
| ▸ | S2 | B2 | 0.202 | 4.924 eV |
| ▸ | S3 | B2 | 0.168 | 5.588 eV |
| ▸ | S4 | A1 | 0.081 | 5.959 eV |
| ▸ | S5 | B1 | 0.000 | 6.146 eV |
| ▸ | S6 | B2 | 1.211 | 6.167 eV |
| ▸ | S7 | A1 | 0.103 | 6.603 eV |
| ▸ | S8 | B2 | 0.490 | 6.798 eV |
| ▸ | S9 | A2 | 0.000 | 6.841 eV |
| ▸ | S10 | B2 | 0.220 | 6.956 eV |
| ▸ | S11 | A1 | 0.004 | 6.998 eV |
| ▸ | S12 | A2 | 0.000 | 7.063 eV |
| ▸ | S13 | B1 | 0.003 | 7.136 eV |
| ▸ | S14 | A1 | 0.287 | 7.245 eV |
| ▸ | S15 | A2 | 0.000 | 7.353 eV |
| ▸ | S16 | B1 | 0.004 | 7.394 eV |
| ▸ | S17 | B1 | 0.001 | 7.625 eV |
| ▸ | S18 | B1 | 0.003 | 7.662 eV |
| ▸ | S19 | A2 | 0.000 | 7.703 eV |
| ▸ | S20 | B2 | 0.221 | 7.754 eV |
| ▸ | S21 | A2 | 0.000 | 7.756 eV |
| ▸ | S22 | B1 | 0.010 | 7.859 eV |
| ▸ | S23 | A1 | 0.032 | 7.926 eV |
| ▸ | S24 | A2 | 0.000 | 7.931 eV |
| ▸ | S25 | A1 | 0.174 | 8.140 eV |
| ▸ | S26 | A2 | 0.000 | 8.142 eV |
| ▸ | S27 | B2 | 0.021 | 8.160 eV |
| ▸ | S28 | A2 | 0.000 | 8.193 eV |
| ▸ | S29 | B1 | 0.001 | 8.278 eV |
| ▸ | S30 | A2 | 0.000 | 8.322 eV |
| ▸ | S31 | B1 | 0.008 | 8.340 eV |
| ▸ | S32 | B1 | 0.001 | 8.366 eV |
| ▸ | S33 | A2 | 0.000 | 8.532 eV |
| ▸ | S34 | B1 | 0.000 | 8.607 eV |
| ▸ | S35 | A2 | 0.000 | 8.610 eV |
| ▸ | S36 | A1 | 0.069 | 8.634 eV |
| ▸ | S37 | A2 | 0.000 | 8.685 eV |
| ▸ | S38 | B1 | 0.008 | 8.762 eV |
| ▸ | S39 | B1 | 0.000 | 8.789 eV |
| ▸ | S40 | A1 | 0.870 | 8.797 eV |
| ▸ | S41 | A2 | 0.000 | 8.802 eV |
| ▸ | S42 | A2 | 0.000 | 8.929 eV |
| ▸ | S43 | B2 | 0.063 | 8.980 eV |
| ▸ | S44 | B1 | 0.006 | 9.076 eV |
| ▸ | S45 | A2 | 0.000 | 9.089 eV |
| ▸ | S46 | B1 | 0.000 | 9.111 eV |
| ▸ | S47 | B2 | 0.075 | 9.172 eV |
| ▸ | S48 | B1 | 0.000 | 9.184 eV |
| ▸ | S49 | B1 | 0.002 | 9.329 eV |
| ▸ | S50 | A2 | 0.000 | 9.387 eV |
| ▸ | S51 | A2 | 0.000 | 9.418 eV |
| ▸ | S52 | B2 | 0.029 | 9.437 eV |
| ▸ | S53 | B1 | 0.005 | 9.597 eV |
| ▸ | S54 | A2 | 0.000 | 9.606 eV |
| ▸ | S55 | B1 | 0.006 | 9.636 eV |
| ▸ | S56 | A1 | 0.002 | 9.683 eV |
| ▸ | S57 | B1 | 0.010 | 9.752 eV |
| ▸ | S58 | A2 | 0.000 | 9.775 eV |
| ▸ | S59 | A2 | 0.000 | 9.803 eV |
| ▸ | S60 | A2 | 0.000 | 9.892 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -14068.39
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 09:09:16
Added 2026-09-10 21:01:24
Legacy ID None
System
Full Name 9H-carbazole
Short Name carbazole
PubChem CID 6854
Formula C12H9N
Mass 167.2 u
Point Group C2v
Orientation yz
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 |
|---|---|---|---|---|---|---|---|
| 1591 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix