TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A' | 0.064 | 4.567 eV |
| ▸ | S2 | A' | 0.285 | 4.797 eV |
| ▸ | S3 | A' | 0.175 | 5.458 eV |
| ▸ | S4 | A' | 0.099 | 5.779 eV |
| ▸ | S5 | A" | 0.000 | 6.007 eV |
| ▸ | S6 | A' | 1.520 | 6.121 eV |
| ▸ | S7 | A" | 0.003 | 6.243 eV |
| ▸ | S8 | A' | 0.110 | 6.453 eV |
| ▸ | S9 | A" | 0.002 | 6.629 eV |
| ▸ | S10 | A' | 0.081 | 6.712 eV |
| ▸ | S11 | A' | 0.100 | 6.765 eV |
| ▸ | S12 | A" | 0.010 | 6.888 eV |
| ▸ | S13 | A" | 0.001 | 6.928 eV |
| ▸ | S14 | A' | 0.418 | 6.983 eV |
| ▸ | S15 | A" | 0.001 | 7.020 eV |
| ▸ | S16 | A' | 0.246 | 7.091 eV |
| ▸ | S17 | A" | 0.000 | 7.116 eV |
| ▸ | S18 | A" | 0.005 | 7.236 eV |
| ▸ | S19 | A" | 0.000 | 7.336 eV |
| ▸ | S20 | A" | 0.003 | 7.514 eV |
| ▸ | S21 | A' | 0.100 | 7.604 eV |
| ▸ | S22 | A" | 0.001 | 7.662 eV |
| ▸ | S23 | A' | 0.070 | 7.681 eV |
| ▸ | S24 | A" | 0.002 | 7.793 eV |
| ▸ | S25 | A" | 0.000 | 7.810 eV |
| ▸ | S26 | A" | 0.001 | 7.885 eV |
| ▸ | S27 | A" | 0.004 | 7.894 eV |
| ▸ | S28 | A' | 0.129 | 7.939 eV |
| ▸ | S29 | A" | 0.006 | 8.009 eV |
| ▸ | S30 | A" | 0.002 | 8.075 eV |
| ▸ | S31 | A' | 0.037 | 8.096 eV |
| ▸ | S32 | A" | 0.003 | 8.109 eV |
| ▸ | S33 | A' | 0.169 | 8.235 eV |
| ▸ | S34 | A" | 0.000 | 8.326 eV |
| ▸ | S35 | A" | 0.001 | 8.342 eV |
| ▸ | S36 | A" | 0.014 | 8.385 eV |
| ▸ | S37 | A" | 0.001 | 8.400 eV |
| ▸ | S38 | A' | 0.480 | 8.463 eV |
| ▸ | S39 | A" | 0.000 | 8.481 eV |
| ▸ | S40 | A" | 0.005 | 8.507 eV |
| ▸ | S41 | A" | 0.002 | 8.571 eV |
| ▸ | S42 | A" | 0.000 | 8.648 eV |
| ▸ | S43 | A" | 0.002 | 8.665 eV |
| ▸ | S44 | A' | 0.028 | 8.699 eV |
| ▸ | S45 | A" | 0.001 | 8.704 eV |
| ▸ | S46 | A" | 0.000 | 8.758 eV |
| ▸ | S47 | A' | 0.161 | 8.760 eV |
| ▸ | S48 | A" | 0.002 | 8.838 eV |
| ▸ | S49 | A" | 0.001 | 8.848 eV |
| ▸ | S50 | A' | 0.142 | 8.898 eV |
| ▸ | S51 | A" | 0.003 | 8.909 eV |
| ▸ | S52 | A" | 0.002 | 8.934 eV |
| ▸ | S53 | A' | 0.034 | 8.993 eV |
| ▸ | S54 | A" | 0.001 | 9.005 eV |
| ▸ | S55 | A" | 0.000 | 9.031 eV |
| ▸ | S56 | A" | 0.000 | 9.041 eV |
| ▸ | S57 | A" | 0.000 | 9.118 eV |
| ▸ | S58 | A' | 0.023 | 9.133 eV |
| ▸ | S59 | A" | 0.003 | 9.138 eV |
| ▸ | S60 | A" | 0.000 | 9.160 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -18255.08
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 09:34:32
Added 2026-09-10 19:41:42
Legacy ID None
System
Full Name 2-Methoxy-3-methyl-9H-carbazole
Short Name 2-methoxy-3-methyl-9H-carbazole
PubChem CID 11052947
Formula C14H13NO
Mass 211.3 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 |
|---|---|---|---|---|---|---|---|
| 1223 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix