Research data supporting Stochastic Coupled Cluster Theory: Efficient Sampling of the Coupled Cluster Expansion
Repository URI
Repository DOI
Change log
Authors
Scott, CJC
Thom, AJW
Description
Calculation inputs and outputs used within the publication of Stochastic Coupled Cluster Theory: Efficient Sampling of the Coupled Cluster Expansion.
Version
Software / Usage instructions
All calculations performed using the development version of HANDE QMC (homepage: http://www.hande.org.uk/). This will be reproducible using the publically available version of the HANDE QMC code after the next update (public github version: https://github.com/hande-qmc/hande)
Keywords
Quantum Monte Carlo, Electronic Structure, Coupled Cluster Monte Carlo
Publisher
Sponsorship
Royal Society (uf110161)