TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | B1 | 0.003 | 3.892 eV |
| ▸ | S2 | A1 | 0.240 | 4.164 eV |
| ▸ | S3 | B1 | 0.034 | 4.575 eV |
| ▸ | S4 | A1 | 0.306 | 5.094 eV |
| ▸ | S5 | B1 | 0.045 | 5.524 eV |
| ▸ | S6 | A1 | 0.161 | 5.631 eV |
| ▸ | S7 | A1 | 0.344 | 6.052 eV |
| ▸ | S8 | B1 | 0.684 | 6.170 eV |
| ▸ | S9 | B2 | 0.000 | 6.510 eV |
| ▸ | S10 | A1 | 0.550 | 6.517 eV |
| ▸ | S11 | A2 | 0.000 | 6.541 eV |
| ▸ | S12 | B1 | 0.013 | 6.729 eV |
| ▸ | S13 | A1 | 0.165 | 6.748 eV |
| ▸ | S14 | B1 | 0.005 | 6.792 eV |
| ▸ | S15 | A1 | 0.387 | 6.847 eV |
| ▸ | S16 | A2 | 0.000 | 7.134 eV |
| ▸ | S17 | A2 | 0.000 | 7.223 eV |
| ▸ | S18 | B2 | 0.002 | 7.340 eV |
| ▸ | S19 | B2 | 0.000 | 7.356 eV |
| ▸ | S20 | B1 | 0.007 | 7.359 eV |
| ▸ | S21 | B1 | 0.690 | 7.374 eV |
| ▸ | S22 | A2 | 0.000 | 7.511 eV |
| ▸ | S23 | B2 | 0.006 | 7.517 eV |
| ▸ | S24 | A1 | 0.008 | 7.610 eV |
| ▸ | S25 | B1 | 0.469 | 7.635 eV |
| ▸ | S26 | B2 | 0.001 | 7.687 eV |
| ▸ | S27 | A2 | 0.000 | 7.754 eV |
| ▸ | S28 | B1 | 0.470 | 7.809 eV |
| ▸ | S29 | A1 | 0.454 | 7.834 eV |
| ▸ | S30 | B2 | 0.003 | 7.849 eV |
| ▸ | S31 | A2 | 0.000 | 7.903 eV |
| ▸ | S32 | B2 | 0.002 | 7.963 eV |
| ▸ | S33 | A1 | 0.053 | 7.986 eV |
| ▸ | S34 | A2 | 0.000 | 8.097 eV |
| ▸ | S35 | A1 | 0.039 | 8.099 eV |
| ▸ | S36 | A2 | 0.000 | 8.141 eV |
| ▸ | S37 | B2 | 0.004 | 8.163 eV |
| ▸ | S38 | B2 | 0.001 | 8.205 eV |
| ▸ | S39 | B2 | 0.000 | 8.217 eV |
| ▸ | S40 | A2 | 0.000 | 8.297 eV |
| ▸ | S41 | A2 | 0.000 | 8.405 eV |
| ▸ | S42 | A2 | 0.000 | 8.445 eV |
| ▸ | S43 | B2 | 0.000 | 8.455 eV |
| ▸ | S44 | B1 | 0.028 | 8.486 eV |
| ▸ | S45 | A2 | 0.000 | 8.562 eV |
| ▸ | S46 | A1 | 0.016 | 8.606 eV |
| ▸ | S47 | B2 | 0.004 | 8.650 eV |
| ▸ | S48 | B1 | 0.000 | 8.688 eV |
| ▸ | S49 | B2 | 0.001 | 8.746 eV |
| ▸ | S50 | A2 | 0.000 | 8.747 eV |
| ▸ | S51 | B2 | 0.015 | 8.767 eV |
| ▸ | S52 | B2 | 0.000 | 8.799 eV |
| ▸ | S53 | A1 | 0.006 | 8.801 eV |
| ▸ | S54 | A2 | 0.000 | 8.829 eV |
| ▸ | S55 | B2 | 0.000 | 8.859 eV |
| ▸ | S56 | B1 | 0.039 | 8.882 eV |
| ▸ | S57 | A2 | 0.000 | 8.951 eV |
| ▸ | S58 | B2 | 0.000 | 8.972 eV |
| ▸ | S59 | A2 | 0.000 | 8.991 eV |
| ▸ | S60 | A2 | 0.000 | 9.031 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -16742.46
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 09:18:24
Added 2026-09-10 21:23:55
Legacy ID None
System
Full Name Fluoranthene
Short Name fluoranthene
PubChem CID 9154
Formula C16H10
Mass 202.3 u
Point Group C2v
Orientation zx
Aliases
Benzo(jk)fluorene
Benzo[jk]fluorene
ClusterCarbon
Fluoranthrene
Idryl
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 |
|---|---|---|---|---|---|---|---|
| 1683 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix