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Stochastic Coupled Cluster techniques exploit sparsity in a wavefunction which can lead to a significant speed up compared to deterministic coupled cluster methods. Inspired by the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) algorithm, it was introduced in Stochastic Coupled Cluster Theory. The linked and initiator versions of stochastic coupled cluster followed.

Development on and research with stochastic coupled cluster is ongoing. We are aiming to apply stochastic coupled cluster to solid systems soon. We are also developing a stochastic version of CCSD(T) currently.

Related Publications 

Exciting Determinants in Quantum Monte Carlo: Loading the Dice with Fast, Low-Memory Weights.
VA Neufeld, AJW Thom – J Chem Theory Comput (2019) 15, 127
Large Scale Parallelization in Stochastic Coupled Cluster
JS Spencer, VA Neufeld, WA Vigor, RST Franklin, AJW Thom – The Journal of Chemical Physics (2018) 149, 204103
A study of the dense Uniform Electron Gas with high orders of Coupled Cluster
VA Neufeld, AJW Thom – The Journal of Chemical Physics (2017) 147, 194105
Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion
CJC Scott, AJW Thom – The Journal of Chemical Physics (2017) 147, 124105
Developments in stochastic coupled cluster theory: The initiator approximation and application to the uniform electron gas
JS Spencer, AJW Thom – The Journal of Chemical Physics (2016) 144, 084108
Linked Coupled Cluster Monte Carlo
RST Franklin, JS Spencer, A Zoccante, AJW Thom – The Journal of Chemical Physics (2016) 144, 044111
Stochastic coupled cluster theory.
AJW Thom – Physical review letters (2010) 105, 263004
The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up.
JS Spencer, NS Blunt, S Choi, J Etrych, M-A Filip, WMC Foulkes, RST Franklin, WJ Handley, FD Malone, VA Neufeld, R Di Remigio, TW Rogers, CJC Scott, JJ Shepherd, WA Vigor, J Weston, R Xu, AJW Thom – Journal of chemical theory and computation (2019) 15, 1728
Diagrammatic Coupled Cluster Monte Carlo.
CJC Scott, R Di Remigio, TD Crawford, AJW Thom – Journal of Physical Chemistry Letters (2019) 10, 925
Multireference Stochastic Coupled Cluster.
M-A Filip, CJC Scott, AJW Thom – Journal of Chemical Theory and Computation (2019) 15, 6625