Research data supporting "Reducing unitary coupled cluster circuit depth by classical stochastic amplitude prescreening"
Repository URI
Repository DOI
Change log
Authors
Description
Data used to construct figures and tables in "Reducing unitary coupled cluster circuit depth by classical stochastic amplitude prescreening". The HANDE folder contains HANDE output files (.out) and necessary integral files (FCIDUMP). The screening_results folder contains amplitude files (.dat) resulting from the HANDE calculations and then used for VQE screening. All other folders contain screened VQE results corresponding to the system in the folder name (.csv) and the python scripts needed to generate figures from them (.py).
Version
Software / Usage instructions
QMC results were generated using a development version of HANDE-QMC (http://www.hande.org.uk/), while VQE results were obtained with the EUMEN software. Python scripts can be run using Python 3 with the numpy and matplotlib libraries installed.
Publisher
Rights and licensing
Except where otherwised noted, this item's license is described as Attribution 4.0 International (CC BY 4.0)
Sponsorship
Royal Society (UF160398)
Microsoft for Startups
The Cambridge Trust
Corpus Christi College