TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | — | 0.048 | 3.729 eV |
| ▸ | S2 | — | 0.001 | 3.864 eV |
| ▸ | S3 | — | 0.286 | 4.135 eV |
| ▸ | S4 | — | 0.072 | 4.291 eV |
| ▸ | S5 | — | 0.426 | 4.514 eV |
| ▸ | S6 | — | 0.206 | 4.560 eV |
| ▸ | S7 | — | 0.005 | 4.652 eV |
| ▸ | S8 | — | 0.012 | 4.734 eV |
| ▸ | S9 | — | 0.011 | 4.878 eV |
| ▸ | S10 | — | 0.413 | 4.957 eV |
| ▸ | S11 | — | 0.288 | 5.078 eV |
| ▸ | S12 | — | 0.623 | 5.193 eV |
| ▸ | S13 | — | 0.016 | 5.417 eV |
| ▸ | S14 | — | 0.056 | 5.426 eV |
| ▸ | S15 | — | 0.059 | 5.515 eV |
| ▸ | S16 | — | 0.114 | 5.574 eV |
| ▸ | S17 | — | 0.116 | 5.614 eV |
| ▸ | S18 | — | 0.207 | 5.622 eV |
| ▸ | S19 | — | 0.745 | 5.757 eV |
| ▸ | S20 | — | 0.001 | 5.872 eV |
| ▸ | S21 | — | 0.652 | 5.924 eV |
| ▸ | S22 | — | 0.018 | 5.958 eV |
| ▸ | S23 | — | 0.034 | 5.997 eV |
| ▸ | S24 | — | 0.221 | 6.009 eV |
| ▸ | S25 | — | 0.308 | 6.041 eV |
| ▸ | S26 | — | 0.069 | 6.060 eV |
| ▸ | S27 | — | 0.148 | 6.192 eV |
| ▸ | S28 | — | 0.020 | 6.221 eV |
| ▸ | S29 | — | 0.235 | 6.280 eV |
| ▸ | S30 | — | 0.089 | 6.422 eV |
| ▸ | S31 | — | 0.119 | 6.432 eV |
| ▸ | S32 | — | 0.287 | 6.435 eV |
| ▸ | S33 | — | 0.080 | 6.507 eV |
| ▸ | S34 | — | 0.000 | 6.524 eV |
| ▸ | S35 | — | 0.004 | 6.528 eV |
| ▸ | S36 | — | 0.003 | 6.545 eV |
| ▸ | S37 | — | 0.023 | 6.581 eV |
| ▸ | S38 | — | 0.084 | 6.662 eV |
| ▸ | S39 | — | 0.016 | 6.677 eV |
| ▸ | S40 | — | 0.070 | 6.708 eV |
| ▸ | S41 | — | 0.017 | 6.760 eV |
| ▸ | S42 | — | 0.032 | 6.773 eV |
| ▸ | S43 | — | 0.266 | 6.804 eV |
| ▸ | S44 | — | 0.168 | 6.827 eV |
| ▸ | S45 | — | 0.075 | 6.853 eV |
| ▸ | S46 | — | 0.004 | 6.867 eV |
| ▸ | S47 | — | 0.263 | 6.926 eV |
| ▸ | S48 | — | 0.001 | 6.983 eV |
| ▸ | S49 | — | 0.322 | 6.993 eV |
| ▸ | S50 | — | 0.065 | 7.027 eV |
| ▸ | S51 | — | 0.000 | 7.113 eV |
| ▸ | S52 | — | 0.000 | 7.121 eV |
| ▸ | S53 | — | 0.005 | 7.135 eV |
| ▸ | S54 | — | 0.007 | 7.182 eV |
| ▸ | S55 | — | 0.030 | 7.198 eV |
| ▸ | S56 | — | 0.002 | 7.211 eV |
| ▸ | S57 | — | 0.098 | 7.221 eV |
| ▸ | S58 | — | 0.082 | 7.243 eV |
| ▸ | S59 | — | 0.080 | 7.266 eV |
| ▸ | S60 | — | 0.000 | 7.274 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -35568.93
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-10 09:29:13
Added 2026-09-14 08:21:32
Legacy ID None
System
Full Name (7E)-7-(fluoranthen-2-ylmethylidene)benzo[c]fluorene
Short Name CID5713154
PubChem CID 5713154
Formula C34H20
Mass 428.5 u
Point Group C1
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 |
|---|---|---|---|---|---|---|---|
| 1961 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix