Published July 26, 2020 | Version v1
Dataset Open

ePSproc: Naphthalene S1 component Orb 33 > 45 (B3u) ionization

  • 1. National Research Council of Canada

Description

Naphthalene S1 component Orb 33 > 45 (B3u) ionization - photoionization calculations with ePolyScat (ePS) + ePSproc.

*Web version*: https://phockett.github.io/ePSdata/naphthalene/naphthalene_wf_1.0-30.1eV_orb33-45_S1.html

For more details of the calculations, see readme.txt, or:

Files

naphthalene_wf_1.0-30.1eV_orb33-45_S1.ipynb

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