TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A' | 0.026 | 3.418 eV |
| ▸ | S2 | A' | 0.197 | 3.943 eV |
| ▸ | S3 | A' | 0.101 | 4.478 eV |
| ▸ | S4 | A' | 0.466 | 4.530 eV |
| ▸ | S5 | A' | 0.027 | 4.971 eV |
| ▸ | S6 | A' | 0.250 | 5.318 eV |
| ▸ | S7 | A' | 0.023 | 5.379 eV |
| ▸ | S8 | A' | 0.005 | 5.530 eV |
| ▸ | S9 | A' | 0.423 | 5.732 eV |
| ▸ | S10 | A' | 0.228 | 5.954 eV |
| ▸ | S11 | A' | 0.359 | 6.069 eV |
| ▸ | S12 | A' | 0.107 | 6.164 eV |
| ▸ | S13 | A" | 0.000 | 6.304 eV |
| ▸ | S14 | A' | 0.157 | 6.414 eV |
| ▸ | S15 | A" | 0.000 | 6.432 eV |
| ▸ | S16 | A' | 0.123 | 6.517 eV |
| ▸ | S17 | A' | 0.808 | 6.631 eV |
| ▸ | S18 | A' | 0.062 | 6.723 eV |
| ▸ | S19 | A' | 0.194 | 6.773 eV |
| ▸ | S20 | A' | 0.633 | 6.937 eV |
| ▸ | S21 | A" | 0.000 | 6.943 eV |
| ▸ | S22 | A' | 0.014 | 7.015 eV |
| ▸ | S23 | A" | 0.001 | 7.060 eV |
| ▸ | S24 | A" | 0.000 | 7.144 eV |
| ▸ | S25 | A' | 0.353 | 7.150 eV |
| ▸ | S26 | A" | 0.000 | 7.165 eV |
| ▸ | S27 | A' | 0.166 | 7.273 eV |
| ▸ | S28 | A" | 0.000 | 7.321 eV |
| ▸ | S29 | A' | 0.152 | 7.427 eV |
| ▸ | S30 | A" | 0.002 | 7.450 eV |
| ▸ | S31 | A" | 0.001 | 7.489 eV |
| ▸ | S32 | A' | 0.141 | 7.546 eV |
| ▸ | S33 | A' | 0.208 | 7.572 eV |
| ▸ | S34 | A" | 0.000 | 7.689 eV |
| ▸ | S35 | A' | 0.269 | 7.695 eV |
| ▸ | S36 | A' | 0.394 | 7.714 eV |
| ▸ | S37 | A" | 0.000 | 7.729 eV |
| ▸ | S38 | A" | 0.003 | 7.778 eV |
| ▸ | S39 | A" | 0.007 | 7.795 eV |
| ▸ | S40 | A' | 0.149 | 7.808 eV |
| ▸ | S41 | A" | 0.001 | 7.822 eV |
| ▸ | S42 | A' | 0.032 | 7.898 eV |
| ▸ | S43 | A" | 0.002 | 7.936 eV |
| ▸ | S44 | A" | 0.000 | 7.950 eV |
| ▸ | S45 | A" | 0.001 | 8.012 eV |
| ▸ | S46 | A' | 0.098 | 8.061 eV |
| ▸ | S47 | A" | 0.000 | 8.095 eV |
| ▸ | S48 | A' | 0.175 | 8.101 eV |
| ▸ | S49 | A" | 0.002 | 8.106 eV |
| ▸ | S50 | A" | 0.001 | 8.124 eV |
| ▸ | S51 | A' | 0.003 | 8.146 eV |
| ▸ | S52 | A" | 0.000 | 8.208 eV |
| ▸ | S53 | A" | 0.001 | 8.223 eV |
| ▸ | S54 | A" | 0.000 | 8.290 eV |
| ▸ | S55 | A" | 0.000 | 8.334 eV |
| ▸ | S56 | A' | 0.148 | 8.346 eV |
| ▸ | S57 | A" | 0.000 | 8.372 eV |
| ▸ | S58 | A" | 0.001 | 8.404 eV |
| ▸ | S59 | A" | 0.000 | 8.447 eV |
| ▸ | S60 | A' | 0.010 | 8.480 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -23623.95
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 14:33:30
Added 2026-09-10 09:26:01
Legacy ID None
System
Full Name 10-Fluorobenzo[j]fluoranthene
Short Name 10-fluorobenzo(j)fluoranthene
PubChem CID 125366
Formula C20H11F
Mass 270.3 u
Point Group Cs
Orientation xy
Aliases
10-fluoro-benzo[j]fluoranthene
10F-B(j)F
6-fluoropentacyclo[10.7.1.0^{2,11}.0^{3,8}.0^{16,20}]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
Benzo(j)fluoranthene, 10-fluoro-
Benzo[j]fluoranthene, 10-fluoro-
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 |
|---|---|---|---|---|---|---|---|
| 1095 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix