TRANSITIONS
MOMENTUM SPACE REAL SPACE (Ekin = 30 eV)
EXCITONS / HOLES Orbitals Excitons
| ▸ | S1 | A' | 0.136 | 4.117 eV |
| ▸ | S2 | A' | 0.190 | 4.451 eV |
| ▸ | S3 | A" | 0.002 | 4.720 eV |
| ▸ | S4 | A' | 0.144 | 5.193 eV |
| ▸ | S5 | A' | 0.161 | 5.419 eV |
| ▸ | S6 | A' | 0.594 | 5.589 eV |
| ▸ | S7 | A" | 0.001 | 5.639 eV |
| ▸ | S8 | A' | 0.066 | 5.733 eV |
| ▸ | S9 | A' | 0.500 | 5.900 eV |
| ▸ | S10 | A' | 0.179 | 6.142 eV |
| ▸ | S11 | A" | 0.000 | 6.233 eV |
| ▸ | S12 | A' | 0.106 | 6.348 eV |
| ▸ | S13 | A' | 0.172 | 6.530 eV |
| ▸ | S14 | A" | 0.000 | 6.602 eV |
| ▸ | S15 | A' | 0.072 | 6.825 eV |
| ▸ | S16 | A" | 0.002 | 6.871 eV |
| ▸ | S17 | A' | 0.080 | 6.922 eV |
| ▸ | S18 | A' | 0.028 | 7.066 eV |
| ▸ | S19 | A" | 0.000 | 7.094 eV |
| ▸ | S20 | A" | 0.000 | 7.176 eV |
| ▸ | S21 | A" | 0.000 | 7.195 eV |
| ▸ | S22 | A' | 0.071 | 7.211 eV |
| ▸ | S23 | A" | 0.002 | 7.354 eV |
| ▸ | S24 | A' | 0.683 | 7.459 eV |
| ▸ | S25 | A" | 0.000 | 7.486 eV |
| ▸ | S26 | A' | 0.483 | 7.533 eV |
| ▸ | S27 | A" | 0.001 | 7.606 eV |
| ▸ | S28 | A' | 0.321 | 7.658 eV |
| ▸ | S29 | A" | 0.000 | 7.730 eV |
| ▸ | S30 | A" | 0.005 | 7.748 eV |
| ▸ | S31 | A' | 0.579 | 7.789 eV |
| ▸ | S32 | A" | 0.002 | 7.809 eV |
| ▸ | S33 | A" | 0.003 | 7.862 eV |
| ▸ | S34 | A' | 0.201 | 7.882 eV |
| ▸ | S35 | A" | 0.003 | 7.896 eV |
| ▸ | S36 | A" | 0.002 | 8.072 eV |
| ▸ | S37 | A' | 0.001 | 8.077 eV |
| ▸ | S38 | A" | 0.005 | 8.102 eV |
| ▸ | S39 | A" | 0.001 | 8.197 eV |
| ▸ | S40 | A" | 0.000 | 8.213 eV |
| ▸ | S41 | A' | 0.212 | 8.268 eV |
| ▸ | S42 | A" | 0.000 | 8.271 eV |
| ▸ | S43 | A" | 0.000 | 8.307 eV |
| ▸ | S44 | A" | 0.002 | 8.372 eV |
| ▸ | S45 | A' | 0.001 | 8.400 eV |
| ▸ | S46 | A" | 0.000 | 8.416 eV |
| ▸ | S47 | A' | 0.004 | 8.437 eV |
| ▸ | S48 | A" | 0.007 | 8.445 eV |
| ▸ | S49 | A" | 0.002 | 8.537 eV |
| ▸ | S50 | A' | 0.073 | 8.551 eV |
| ▸ | S51 | A" | 0.001 | 8.595 eV |
| ▸ | S52 | A" | 0.002 | 8.685 eV |
| ▸ | S53 | A" | 0.000 | 8.693 eV |
| ▸ | S54 | A' | 0.013 | 8.728 eV |
| ▸ | S55 | A" | 0.001 | 8.759 eV |
| ▸ | S56 | A' | 0.110 | 8.782 eV |
| ▸ | S57 | A" | 0.000 | 8.794 eV |
| ▸ | S58 | A' | 0.007 | 8.823 eV |
| ▸ | S59 | A" | 0.000 | 8.824 eV |
| ▸ | S60 | A' | 0.063 | 8.843 eV |
Calculation
XC Functional CAM-B3LYP
Basis Set def2-TZVP
Charge 0.0
Spin 0.0
Total Energy [eV] -18685.92
Code Orca 6.1.1
Author Dominik Brandstetter
Date 2026-09-09 09:51:46
Added 2026-09-10 20:17:46
Legacy ID None
System
Full Name 7H-pyrido[4,3-c]carbazole
Short Name 7h-pyrido(4,3-c)carbazole
PubChem CID 130800
Formula C15H10N2
Mass 218.3 u
Point Group Cs
Orientation xy
Aliases
7H-Pdca
carbazole deriv. 15
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 |
|---|---|---|---|---|---|---|---|
| 1412 | CAM-B3LYP | def2-TZVP | Orca | 0.0 | 0.0 | ✓ |
Input File
Output File
Coefficients
Serving Binaries
Transition Matrix