Published January 15, 2022 | Version 1.0
Dataset Open

Dataset: "Vibronic Coupling in Spherically Encapsulated, Diatomic Molecules: Prediction of a Renner-Teller-like Effect for Endofullerenes"

Authors/Creators

  • 1. Graz University of Technology, Insitute of Experimental Physics

Description

This datasets contains scripts and output files for the publication:
                           "Vibronic coupling in spherically encapsulated, diatomic molecules:
                                  Prediction of a Renner-Teller-like effect for endofullerenes"
by
Andreas W. Hauser and Johann V. Pototschnig

The zip file NO.zip contains the output files.
The zip file code.zip contains the python scripts.

Files

code.zip

Files (44.7 MB)

Name Size Download all
md5:1d028d5f8a5d8d3fd7e33f92b2548a6c
21.3 kB Preview Download
md5:277e676861f0318f378d4c4e4d471296
44.7 MB Preview Download

Additional details

Funding

FWF Austrian Science Fund
Heterogeneous catalysis on metallic nanoparticles P 29893
FWF Austrian Science Fund
Relativistic coupled cluster for open-shell molecules J 4177