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Dataset for "Accelerating convergence to the thermodynamic limit with twist angle selection applied to methods beyond many-body perturbation theory”
Dataset   Open access

Dataset for "Accelerating convergence to the thermodynamic limit with twist angle selection applied to methods beyond many-body perturbation theory”

Tina N Mihm, William Z. Van Benschoten and James J Shepherd
University of Iowa
2021
DOI: 10.25820/data.006137
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DATASET_Mihm2020_README7.05 kBDownloadView
txt
DATADICTIONARY_Mihm2021_README3.55 kBDownloadView
Data DictionaryOpen Data Commons Attribution (ODC-By) V1.0 Open Access
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zip
iFCIQMC_Collected_Data7.71 MBDownloadView
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DATASTRUCTURE_Mihm2020_README34.82 kBDownloadView
READMEFile listings and descriptions for data files in the iFCIQMC_Collected_Data zip archive.Open Data Commons Attribution (ODC-By) V1.0 Open Access

Abstract

Electronic Structure Coupled Cluster Doubles (CCD) Theory Singe Twist Angle Connectivity Twist Averaging (cTA) Twist Averaging Initiator Full Configuration Interaction Quantum Monte Carlo (i-FCIQMC)

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