TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | — | 0.073 | 4.462 eV |
| ▸ | S2 | — | 0.170 | 4.888 eV |
| ▸ | S3 | — | 0.087 | 5.144 eV |
| ▸ | S4 | — | 0.166 | 5.304 eV |
| ▸ | S5 | — | 0.009 | 5.447 eV |
| ▸ | S6 | — | 0.299 | 5.556 eV |
| ▸ | S7 | — | 0.084 | 5.692 eV |
| ▸ | S8 | — | 0.183 | 5.881 eV |
| ▸ | S9 | — | 0.178 | 5.957 eV |
| ▸ | S10 | — | 0.257 | 6.036 eV |
| ▸ | S11 | — | 0.604 | 6.164 eV |
| ▸ | S12 | — | 0.010 | 6.249 eV |
| ▸ | S13 | — | 0.265 | 6.308 eV |
| ▸ | S14 | — | 0.086 | 6.352 eV |
| ▸ | S15 | — | 0.126 | 6.407 eV |
| ▸ | S16 | — | 0.014 | 6.608 eV |
| ▸ | S17 | — | 0.121 | 6.630 eV |
| ▸ | S18 | — | 0.033 | 6.692 eV |
| ▸ | S19 | — | 0.006 | 6.736 eV |
| ▸ | S20 | — | 0.411 | 6.762 eV |
| ▸ | S21 | — | 0.009 | 6.792 eV |
| ▸ | S22 | — | 0.341 | 6.872 eV |
| ▸ | S23 | — | 0.137 | 6.933 eV |
| ▸ | S24 | — | 0.042 | 6.991 eV |
| ▸ | S25 | — | 0.136 | 7.013 eV |
| ▸ | S26 | — | 0.336 | 7.097 eV |
| ▸ | S27 | — | 0.119 | 7.179 eV |
| ▸ | S28 | — | 0.013 | 7.191 eV |
| ▸ | S29 | — | 0.002 | 7.293 eV |
| ▸ | S30 | — | 0.013 | 7.309 eV |
| ▸ | S31 | — | 0.006 | 7.336 eV |
| ▸ | S32 | — | 0.004 | 7.366 eV |
| ▸ | S33 | — | 0.016 | 7.401 eV |
| ▸ | S34 | — | 0.002 | 7.442 eV |
| ▸ | S35 | — | 0.013 | 7.458 eV |
| ▸ | S36 | — | 0.007 | 7.514 eV |
| ▸ | S37 | — | 0.046 | 7.544 eV |
| ▸ | S38 | — | 0.042 | 7.570 eV |
| ▸ | S39 | — | 0.019 | 7.597 eV |
| ▸ | S40 | — | 0.032 | 7.628 eV |
| ▸ | S41 | — | 0.002 | 7.653 eV |
| ▸ | S42 | — | 0.010 | 7.675 eV |
| ▸ | S43 | — | 0.014 | 7.693 eV |
| ▸ | S44 | — | 0.014 | 7.705 eV |
| ▸ | S45 | — | 0.034 | 7.730 eV |
| ▸ | S46 | — | 0.090 | 7.766 eV |
| ▸ | S47 | — | 0.078 | 7.796 eV |
| ▸ | S48 | — | 0.004 | 7.859 eV |
| ▸ | S49 | — | 0.126 | 7.871 eV |
| ▸ | S50 | — | 0.028 | 7.954 eV |
| ▸ | S51 | — | 0.064 | 7.965 eV |
| ▸ | S52 | — | 0.015 | 8.014 eV |
| ▸ | S53 | — | 0.090 | 8.020 eV |
| ▸ | S54 | — | 0.029 | 8.052 eV |
| ▸ | S55 | — | 0.009 | 8.080 eV |
| ▸ | S56 | — | 0.020 | 8.083 eV |
| ▸ | S57 | — | 0.007 | 8.146 eV |
| ▸ | S58 | — | 0.010 | 8.189 eV |
| ▸ | S59 | — | 0.004 | 8.205 eV |
| ▸ | S60 | — | 0.026 | 8.220 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -26016.40
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 19:39:05
Added 2026-09-10 21:06:47
Legacy ID None
System
Full Name N-[2-(9H-carbazol-1-yl)phenyl]acetamide
Short Name N-[2-(9H-carbazol-1-yl)phenyl]acetamide
PubChem CID 135397654
Formula C20H16N2O
Mass 300.4 u
Point Group C1
Orientation xy
Aliases
GeA-69
GeA-69?
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 |
|---|---|---|---|---|---|---|---|
| 1615 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix