Raw output data for "Chemical design of electronic and magnetic energy scales of tetravalent praseodymium materials", DOI: 10.1038/s41467-023-38431-7
DOI10.5281/zenodo.7932208Zenodo7932208MaRDI QIDQ6723585FDOQ6723585
Dataset published at Zenodo repository.
Dumitru-Claudiu Sergentu, Jensen Kaplan, Stefan G. Minasian, Mykhaylo Ozerov, Zhigang Jiang, Martin Mourigal, Henry S. la Pierre, Jochen Autschbach, Arun Ramanathan, Alexander I. Kolesnikov, Jacob A. Branson, John W. Freeland
Publication date: 13 May 2023
Copyright license: Creative Commons Attribution 4.0 International
This repository contains output data from the first-principles calculations reported in the following article: Authors: Arun Ramanathan, Jensen Kaplan, Dumitru-Claudiu Sergentu, Jacob A. Branson, Mykhaylo Ozerov, Alexander I. Kolesnikov, Stefan G. Minasian, Jochen Autschbach, John W. Freeland, Zhigang Jiang, Martin Mourigal, Henry S. La Pierre Title: Chemical Design of Electronic and Magnetic Energy Scales in Tetravalent Praseodymium Published in Nature Communications at: https://doi.org/10.1038/s41467-023-38431-7 Preprint on arXiv at: https://doi.org/10.48550/arXiv.2212.10401 Description: The archive contains raw output files generated from quantum chemistry calculations conducted using the OpenMolcas program. OpenMolcas is a freely available program that can be accessed at https://gitlab.com/Molcas/OpenMolcas. For specific details about the content of the archive, please refer to the 00README file included in the archive.
This page was built for dataset: Raw output data for "Chemical design of electronic and magnetic energy scales of tetravalent praseodymium materials", DOI: 10.1038/s41467-023-38431-7
