TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | — | 0.019 | 3.811 eV |
| ▸ | S2 | — | 0.007 | 3.924 eV |
| ▸ | S3 | — | 0.318 | 4.039 eV |
| ▸ | S4 | — | 0.079 | 4.543 eV |
| ▸ | S5 | — | 0.545 | 4.864 eV |
| ▸ | S6 | — | 0.122 | 5.120 eV |
| ▸ | S7 | — | 0.011 | 5.187 eV |
| ▸ | S8 | — | 0.065 | 5.402 eV |
| ▸ | S9 | — | 0.070 | 5.491 eV |
| ▸ | S10 | — | 0.234 | 5.569 eV |
| ▸ | S11 | — | 0.051 | 5.755 eV |
| ▸ | S12 | — | 0.007 | 5.817 eV |
| ▸ | S13 | — | 0.382 | 5.961 eV |
| ▸ | S14 | — | 0.007 | 6.054 eV |
| ▸ | S15 | — | 0.340 | 6.102 eV |
| ▸ | S16 | — | 0.041 | 6.267 eV |
| ▸ | S17 | — | 0.012 | 6.300 eV |
| ▸ | S18 | — | 0.339 | 6.389 eV |
| ▸ | S19 | — | 0.006 | 6.471 eV |
| ▸ | S20 | — | 0.002 | 6.477 eV |
| ▸ | S21 | — | 0.381 | 6.493 eV |
| ▸ | S22 | — | 0.034 | 6.592 eV |
| ▸ | S23 | — | 0.030 | 6.644 eV |
| ▸ | S24 | — | 0.154 | 6.655 eV |
| ▸ | S25 | — | 0.127 | 6.731 eV |
| ▸ | S26 | — | 0.042 | 6.758 eV |
| ▸ | S27 | — | 0.080 | 6.805 eV |
| ▸ | S28 | — | 0.081 | 6.814 eV |
| ▸ | S29 | — | 0.036 | 6.899 eV |
| ▸ | S30 | — | 0.068 | 6.917 eV |
| ▸ | S31 | — | 0.108 | 6.944 eV |
| ▸ | S32 | — | 0.059 | 7.003 eV |
| ▸ | S33 | — | 0.052 | 7.140 eV |
| ▸ | S34 | — | 0.286 | 7.217 eV |
| ▸ | S35 | — | 0.867 | 7.282 eV |
| ▸ | S36 | — | 0.140 | 7.304 eV |
| ▸ | S37 | — | 0.055 | 7.347 eV |
| ▸ | S38 | — | 0.027 | 7.371 eV |
| ▸ | S39 | — | 0.266 | 7.405 eV |
| ▸ | S40 | — | 0.067 | 7.439 eV |
| ▸ | S41 | — | 0.011 | 7.459 eV |
| ▸ | S42 | — | 0.024 | 7.528 eV |
| ▸ | S43 | — | 0.003 | 7.576 eV |
| ▸ | S44 | — | 0.015 | 7.607 eV |
| ▸ | S45 | — | 0.020 | 7.684 eV |
| ▸ | S46 | — | 0.078 | 7.689 eV |
| ▸ | S47 | — | 0.004 | 7.704 eV |
| ▸ | S48 | — | 0.003 | 7.769 eV |
| ▸ | S49 | — | 0.199 | 7.816 eV |
| ▸ | S50 | — | 0.015 | 7.836 eV |
| ▸ | S51 | — | 0.085 | 7.859 eV |
| ▸ | S52 | — | 0.257 | 7.883 eV |
| ▸ | S53 | — | 0.078 | 7.912 eV |
| ▸ | S54 | — | 0.020 | 7.939 eV |
| ▸ | S55 | — | 0.166 | 7.966 eV |
| ▸ | S56 | — | 0.060 | 8.004 eV |
| ▸ | S57 | — | 0.108 | 8.015 eV |
| ▸ | S58 | — | 0.046 | 8.031 eV |
| ▸ | S59 | — | 0.013 | 8.038 eV |
| ▸ | S60 | — | 0.009 | 8.049 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -26113.27
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 20:06:57
Added 2026-09-10 21:23:17
Legacy ID None
System
Full Name Fluoranthen-8-yl(phenyl)methanone
Short Name fluoranthen-8-yl(phenyl)methanone
PubChem CID 71347419
Formula C23H14O
Mass 306.4 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 |
|---|---|---|---|---|---|---|---|
| 1680 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix