Published March 11, 2020
| Version v1
Dataset
Open
ePSproc: Ethylene (C2H4), orb 2 ionization (B1u), wavefn run, 1.0:2.5:100.0
Description
Ethylene (C2H4), orb 2 ionization (B1u), wavefn run, 1.0:2.5:100.0 - photoionization calculations with ePolyScat (ePS) + ePSproc.
*Web version*: https://phockett.github.io/ePSdata/C2H4_1.0-100.0eV/C2H4_1.0-100.0eV_orb2_B1u.html
For more details of the calculations, see readme.txt, or:
*Web version*: https://phockett.github.io/ePSdata/C2H4_1.0-100.0eV/C2H4_1.0-100.0eV_orb2_B1u.html
For more details of the calculations, see readme.txt, or:
Files
C2H4_1.0-100.0eV_orb2_B1u.ipynb
Files
(74.1 MB)
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