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Research data and further information supporting "A study of the dense uniform electron gas with high orders of coupled cluster"


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Type

Dataset

Change log

Authors

Neufeld, VA 
Thom, Alexander James 

Description

This data set includes HANDE output files, python analysis scripts and text files with results. It also includes figures and readme files as well as additional information about the data.

Version

Software / Usage instructions

HANDE (https://github.com/hande-qmc/hande , http://www.hande.org.uk/, https://doi.org/10.5281/zenodo.1158670) pyblock (https://github.com/jsspencer/pyblock) SciPy (https://www.scipy.org/) Matplotlib (https://matplotlib.org/) Pandas (http://pandas.pydata.org/) NumPy (http://www.numpy.org/) math and possibly further python packages

Keywords

Stochastic Coupled Cluster, Monte Carlo, Electron Gas

Publisher

Sponsorship
EPSRC (1502865)
- ARCHER UK National Supercomputing Service (http://www.archer.ac.uk) and UK Research Data Facility (http://www.archer.ac.uk/documentation/rdf-guide) under ARCHER leadership grant e507. - Alex J W Thom: Royal Society under grant UF110161 - Verena A Neufeld: EPSRC Centre for Doctoral Training in Computational Methods for Materials Science under grant EP/L015552/1
Relationships
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