TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A" | 0.000 | 4.022 eV |
| ▸ | S2 | A' | 0.137 | 4.076 eV |
| ▸ | S3 | A' | 0.054 | 4.753 eV |
| ▸ | S4 | A' | 0.114 | 5.153 eV |
| ▸ | S5 | A' | 0.247 | 5.629 eV |
| ▸ | S6 | A' | 1.187 | 5.751 eV |
| ▸ | S7 | A" | 0.000 | 5.815 eV |
| ▸ | S8 | A' | 0.062 | 5.836 eV |
| ▸ | S9 | A" | 0.000 | 5.995 eV |
| ▸ | S10 | A' | 0.052 | 6.206 eV |
| ▸ | S11 | A' | 0.003 | 6.354 eV |
| ▸ | S12 | A" | 0.000 | 6.581 eV |
| ▸ | S13 | A' | 0.504 | 6.710 eV |
| ▸ | S14 | A' | 0.078 | 6.753 eV |
| ▸ | S15 | A" | 0.000 | 6.955 eV |
| ▸ | S16 | A" | 0.000 | 7.015 eV |
| ▸ | S17 | A" | 0.000 | 7.160 eV |
| ▸ | S18 | A' | 0.106 | 7.209 eV |
| ▸ | S19 | A" | 0.002 | 7.293 eV |
| ▸ | S20 | A" | 0.004 | 7.355 eV |
| ▸ | S21 | A" | 0.002 | 7.465 eV |
| ▸ | S22 | A' | 0.049 | 7.472 eV |
| ▸ | S23 | A" | 0.000 | 7.525 eV |
| ▸ | S24 | A" | 0.001 | 7.580 eV |
| ▸ | S25 | A" | 0.000 | 7.601 eV |
| ▸ | S26 | A' | 0.212 | 7.614 eV |
| ▸ | S27 | A' | 0.008 | 7.678 eV |
| ▸ | S28 | A" | 0.005 | 7.718 eV |
| ▸ | S29 | A' | 0.346 | 7.744 eV |
| ▸ | S30 | A" | 0.003 | 7.837 eV |
| ▸ | S31 | A' | 0.072 | 7.955 eV |
| ▸ | S32 | A' | 0.076 | 7.967 eV |
| ▸ | S33 | A" | 0.003 | 8.007 eV |
| ▸ | S34 | A' | 0.723 | 8.016 eV |
| ▸ | S35 | A' | 0.077 | 8.136 eV |
| ▸ | S36 | A" | 0.003 | 8.145 eV |
| ▸ | S37 | A" | 0.000 | 8.189 eV |
| ▸ | S38 | A" | 0.005 | 8.209 eV |
| ▸ | S39 | A" | 0.000 | 8.250 eV |
| ▸ | S40 | A" | 0.003 | 8.261 eV |
| ▸ | S41 | A" | 0.000 | 8.344 eV |
| ▸ | S42 | A" | 0.000 | 8.365 eV |
| ▸ | S43 | A' | 0.021 | 8.400 eV |
| ▸ | S44 | A' | 0.124 | 8.466 eV |
| ▸ | S45 | A" | 0.001 | 8.500 eV |
| ▸ | S46 | A" | 0.001 | 8.581 eV |
| ▸ | S47 | A' | 0.128 | 8.603 eV |
| ▸ | S48 | A" | 0.006 | 8.610 eV |
| ▸ | S49 | A" | 0.001 | 8.681 eV |
| ▸ | S50 | A" | 0.005 | 8.698 eV |
| ▸ | S51 | A" | 0.000 | 8.735 eV |
| ▸ | S52 | A' | 0.055 | 8.801 eV |
| ▸ | S53 | A' | 0.072 | 8.866 eV |
| ▸ | S54 | A" | 0.000 | 8.867 eV |
| ▸ | S55 | A' | 0.018 | 8.883 eV |
| ▸ | S56 | A' | 0.017 | 8.913 eV |
| ▸ | S57 | A" | 0.000 | 8.919 eV |
| ▸ | S58 | A" | 0.000 | 8.952 eV |
| ▸ | S59 | A' | 0.052 | 8.957 eV |
| ▸ | S60 | A" | 0.002 | 8.979 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -19292.76
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 10:28:56
Added 2026-09-10 19:49:03
Legacy ID None
System
Full Name 2,4-Dimethyl-10H-acridin-9-one
Short Name 2,4-dimethylacridin-9(10h)-one
PubChem CID 13113660
Formula C15H13NO
Mass 223.3 u
Point Group Cs
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 |
|---|---|---|---|---|---|---|---|
| 1260 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix