TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | — | 0.000 | 4.050 eV |
| ▸ | S2 | — | 0.123 | 4.111 eV |
| ▸ | S3 | — | 0.023 | 4.746 eV |
| ▸ | S4 | — | 0.166 | 5.179 eV |
| ▸ | S5 | — | 0.814 | 5.633 eV |
| ▸ | S6 | — | 0.760 | 5.771 eV |
| ▸ | S7 | — | 0.000 | 5.861 eV |
| ▸ | S8 | — | 0.057 | 5.895 eV |
| ▸ | S9 | — | 0.000 | 6.002 eV |
| ▸ | S10 | — | 0.079 | 6.207 eV |
| ▸ | S11 | — | 0.003 | 6.272 eV |
| ▸ | S12 | — | 0.000 | 6.588 eV |
| ▸ | S13 | — | 0.342 | 6.617 eV |
| ▸ | S14 | — | 0.447 | 6.797 eV |
| ▸ | S15 | — | 0.000 | 6.901 eV |
| ▸ | S16 | — | 0.000 | 7.019 eV |
| ▸ | S17 | — | 0.000 | 7.151 eV |
| ▸ | S18 | — | 0.047 | 7.230 eV |
| ▸ | S19 | — | 0.001 | 7.304 eV |
| ▸ | S20 | — | 0.007 | 7.325 eV |
| ▸ | S21 | — | 0.010 | 7.455 eV |
| ▸ | S22 | — | 0.001 | 7.466 eV |
| ▸ | S23 | — | 0.000 | 7.517 eV |
| ▸ | S24 | — | 0.139 | 7.544 eV |
| ▸ | S25 | — | 0.000 | 7.551 eV |
| ▸ | S26 | — | 0.060 | 7.609 eV |
| ▸ | S27 | — | 0.000 | 7.620 eV |
| ▸ | S28 | — | 0.006 | 7.743 eV |
| ▸ | S29 | — | 0.288 | 7.756 eV |
| ▸ | S30 | — | 0.000 | 7.910 eV |
| ▸ | S31 | — | 0.001 | 7.948 eV |
| ▸ | S32 | — | 0.659 | 7.956 eV |
| ▸ | S33 | — | 0.075 | 7.992 eV |
| ▸ | S34 | — | 0.098 | 8.003 eV |
| ▸ | S35 | — | 0.001 | 8.056 eV |
| ▸ | S36 | — | 0.003 | 8.057 eV |
| ▸ | S37 | — | 0.006 | 8.118 eV |
| ▸ | S38 | — | 0.000 | 8.204 eV |
| ▸ | S39 | — | 0.001 | 8.242 eV |
| ▸ | S40 | — | 0.001 | 8.296 eV |
| ▸ | S41 | — | 0.003 | 8.311 eV |
| ▸ | S42 | — | 0.003 | 8.320 eV |
| ▸ | S43 | — | 0.075 | 8.357 eV |
| ▸ | S44 | — | 0.056 | 8.444 eV |
| ▸ | S45 | — | 0.001 | 8.457 eV |
| ▸ | S46 | — | 0.000 | 8.514 eV |
| ▸ | S47 | — | 0.005 | 8.602 eV |
| ▸ | S48 | — | 0.001 | 8.618 eV |
| ▸ | S49 | — | 0.006 | 8.709 eV |
| ▸ | S50 | — | 0.003 | 8.717 eV |
| ▸ | S51 | — | 0.001 | 8.744 eV |
| ▸ | S52 | — | 0.048 | 8.761 eV |
| ▸ | S53 | — | 0.000 | 8.810 eV |
| ▸ | S54 | — | 0.000 | 8.856 eV |
| ▸ | S55 | — | 0.000 | 8.876 eV |
| ▸ | S56 | — | 0.098 | 8.908 eV |
| ▸ | S57 | — | 0.000 | 8.919 eV |
| ▸ | S58 | — | 0.001 | 8.953 eV |
| ▸ | S59 | — | 0.000 | 8.977 eV |
| ▸ | S60 | — | 0.009 | 8.986 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -19292.78
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 10:20:22
Added 2026-09-10 19:49:18
Legacy ID None
System
Full Name 2,6-Dimethyl-10H-acridin-9-one
Short Name 2,6-dimethyl-10H-acridin-9-one
PubChem CID 44532191
Formula C15H13NO
Mass 223.3 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 |
|---|---|---|---|---|---|---|---|
| 1262 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix