TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | B2 | 0.005 | 3.911 eV |
| ▸ | S2 | A1 | 0.269 | 4.100 eV |
| ▸ | S3 | B2 | 0.045 | 4.565 eV |
| ▸ | S4 | A1 | 0.225 | 5.082 eV |
| ▸ | S5 | B2 | 0.001 | 5.471 eV |
| ▸ | S6 | A2 | 0.000 | 5.477 eV |
| ▸ | S7 | B1 | 0.002 | 5.490 eV |
| ▸ | S8 | A1 | 0.210 | 5.599 eV |
| ▸ | S9 | A2 | 0.000 | 5.649 eV |
| ▸ | S10 | B1 | 0.001 | 5.651 eV |
| ▸ | S11 | B2 | 0.050 | 5.887 eV |
| ▸ | S12 | A1 | 0.076 | 5.895 eV |
| ▸ | S13 | A1 | 0.004 | 5.915 eV |
| ▸ | S14 | B2 | 0.274 | 5.953 eV |
| ▸ | S15 | B1 | 0.000 | 5.968 eV |
| ▸ | S16 | A2 | 0.000 | 6.024 eV |
| ▸ | S17 | A1 | 0.428 | 6.097 eV |
| ▸ | S18 | B2 | 0.239 | 6.296 eV |
| ▸ | S19 | B2 | 0.079 | 6.330 eV |
| ▸ | S20 | A2 | 0.000 | 6.388 eV |
| ▸ | S21 | A1 | 0.004 | 6.401 eV |
| ▸ | S22 | B2 | 0.191 | 6.420 eV |
| ▸ | S23 | B1 | 0.001 | 6.444 eV |
| ▸ | S24 | A1 | 0.222 | 6.482 eV |
| ▸ | S25 | A2 | 0.000 | 6.504 eV |
| ▸ | S26 | B1 | 0.000 | 6.505 eV |
| ▸ | S27 | A1 | 0.272 | 6.544 eV |
| ▸ | S28 | B1 | 0.009 | 6.545 eV |
| ▸ | S29 | A2 | 0.000 | 6.554 eV |
| ▸ | S30 | B2 | 0.672 | 6.726 eV |
| ▸ | S31 | A1 | 0.018 | 6.733 eV |
| ▸ | S32 | B2 | 0.505 | 6.846 eV |
| ▸ | S33 | A1 | 0.179 | 6.851 eV |
| ▸ | S34 | B2 | 0.173 | 7.023 eV |
| ▸ | S35 | A1 | 0.006 | 7.033 eV |
| ▸ | S36 | A2 | 0.000 | 7.114 eV |
| ▸ | S37 | B2 | 0.028 | 7.157 eV |
| ▸ | S38 | B2 | 2.079 | 7.218 eV |
| ▸ | S39 | B2 | 0.472 | 7.250 eV |
| ▸ | S40 | A2 | 0.000 | 7.292 eV |
| ▸ | S41 | B1 | 0.058 | 7.328 eV |
| ▸ | S42 | A2 | 0.000 | 7.334 eV |
| ▸ | S43 | A1 | 0.041 | 7.344 eV |
| ▸ | S44 | B1 | 0.076 | 7.387 eV |
| ▸ | S45 | B2 | 0.021 | 7.408 eV |
| ▸ | S46 | A2 | 0.000 | 7.410 eV |
| ▸ | S47 | B1 | 0.027 | 7.419 eV |
| ▸ | S48 | A2 | 0.000 | 7.422 eV |
| ▸ | S49 | A1 | 0.003 | 7.448 eV |
| ▸ | S50 | B1 | 0.147 | 7.463 eV |
| ▸ | S51 | A2 | 0.000 | 7.465 eV |
| ▸ | S52 | B1 | 0.004 | 7.495 eV |
| ▸ | S53 | B1 | 0.340 | 7.545 eV |
| ▸ | S54 | A2 | 0.000 | 7.578 eV |
| ▸ | S55 | B1 | 0.004 | 7.585 eV |
| ▸ | S56 | A1 | 0.000 | 7.594 eV |
| ▸ | S57 | B2 | 0.032 | 7.602 eV |
| ▸ | S58 | A1 | 0.073 | 7.667 eV |
| ▸ | S59 | B2 | 0.020 | 7.756 eV |
| ▸ | S60 | B1 | 0.239 | 7.793 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -29315.39
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-10 01:35:24
Added 2026-09-14 07:04:43
Legacy ID None
System
Full Name 7,10-Diphenylfluoranthene
Short Name 7,10-diphenylfluoranthene
PubChem CID 11164075
Formula C28H18
Mass 354.5 u
Point Group C2v
Orientation yz
Aliases Fluoranthene, 7,10-diphenyl-
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 |
|---|---|---|---|---|---|---|---|
| 1805 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix