TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A" | 0.000 | 3.971 eV |
| ▸ | S2 | A' | 0.143 | 4.058 eV |
| ▸ | S3 | A" | 0.040 | 4.783 eV |
| ▸ | S4 | A" | 0.104 | 5.147 eV |
| ▸ | S5 | A' | 0.016 | 5.655 eV |
| ▸ | S6 | A" | 1.275 | 5.734 eV |
| ▸ | S7 | A" | 0.029 | 5.843 eV |
| ▸ | S8 | A' | 0.001 | 6.000 eV |
| ▸ | S9 | A' | 0.056 | 6.117 eV |
| ▸ | S10 | A' | 0.041 | 6.257 eV |
| ▸ | S11 | A' | 0.000 | 6.547 eV |
| ▸ | S12 | A' | 0.008 | 6.620 eV |
| ▸ | S13 | A" | 0.503 | 6.747 eV |
| ▸ | S14 | A' | 0.053 | 6.825 eV |
| ▸ | S15 | A" | 0.009 | 6.908 eV |
| ▸ | S16 | A' | 0.014 | 7.073 eV |
| ▸ | S17 | A" | 0.001 | 7.074 eV |
| ▸ | S18 | A' | 0.002 | 7.172 eV |
| ▸ | S19 | A" | 0.077 | 7.228 eV |
| ▸ | S20 | A' | 0.006 | 7.403 eV |
| ▸ | S21 | A" | 0.000 | 7.451 eV |
| ▸ | S22 | A" | 0.003 | 7.583 eV |
| ▸ | S23 | A" | 0.093 | 7.634 eV |
| ▸ | S24 | A' | 0.004 | 7.661 eV |
| ▸ | S25 | A' | 0.009 | 7.685 eV |
| ▸ | S26 | A" | 0.006 | 7.697 eV |
| ▸ | S27 | A' | 0.118 | 7.718 eV |
| ▸ | S28 | A' | 0.629 | 7.918 eV |
| ▸ | S29 | A' | 0.004 | 7.931 eV |
| ▸ | S30 | A" | 0.058 | 7.942 eV |
| ▸ | S31 | A" | 0.094 | 8.014 eV |
| ▸ | S32 | A' | 0.171 | 8.033 eV |
| ▸ | S33 | A' | 0.443 | 8.171 eV |
| ▸ | S34 | A" | 0.001 | 8.191 eV |
| ▸ | S35 | A' | 0.009 | 8.223 eV |
| ▸ | S36 | A" | 0.004 | 8.274 eV |
| ▸ | S37 | A" | 0.031 | 8.319 eV |
| ▸ | S38 | A" | 0.035 | 8.328 eV |
| ▸ | S39 | A' | 0.049 | 8.402 eV |
| ▸ | S40 | A" | 0.015 | 8.421 eV |
| ▸ | S41 | A' | 0.008 | 8.428 eV |
| ▸ | S42 | A' | 0.001 | 8.452 eV |
| ▸ | S43 | A" | 0.000 | 8.549 eV |
| ▸ | S44 | A' | 0.001 | 8.620 eV |
| ▸ | S45 | A" | 0.001 | 8.653 eV |
| ▸ | S46 | A' | 0.032 | 8.692 eV |
| ▸ | S47 | A" | 0.043 | 8.696 eV |
| ▸ | S48 | A' | 0.088 | 8.714 eV |
| ▸ | S49 | A' | 0.018 | 8.729 eV |
| ▸ | S50 | A" | 0.004 | 8.751 eV |
| ▸ | S51 | A" | 0.092 | 8.780 eV |
| ▸ | S52 | A" | 0.117 | 8.850 eV |
| ▸ | S53 | A" | 0.000 | 8.891 eV |
| ▸ | S54 | A' | 0.001 | 8.945 eV |
| ▸ | S55 | A" | 0.045 | 8.948 eV |
| ▸ | S56 | A' | 0.012 | 8.950 eV |
| ▸ | S57 | A" | 0.000 | 8.962 eV |
| ▸ | S58 | A' | 0.007 | 9.005 eV |
| ▸ | S59 | A' | 0.008 | 9.044 eV |
| ▸ | S60 | A" | 0.005 | 9.075 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -19292.14
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 09:59:46
Added 2026-09-10 09:25:50
Legacy ID None
System
Full Name 10-Ethylacridin-9-one
Short Name 10-ethyl-9-hydro-9-oxoacridine
PubChem CID 137494
Formula C15H13NO
Mass 223.3 u
Point Group Cs
Orientation zx
Aliases
9(10H)-Acridinone, 10-ethyl-
9-Acridanone, 10-ethyl-
N-Ethylacridone
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 |
|---|---|---|---|---|---|---|---|
| 1094 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix