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
A Stochastic Approach to Unitary Coupled Cluster
(DOI: 10.1063/5.0026141)
Theory and implementation of a novel stochastic approach to coupled cluster.
(DOI: 10.1063/5.0026513)
Diagrammatic Coupled Cluster Monte Carlo
(DOI: 10.1021/acs.jpclett.9b00067)
Multireference Stochastic Coupled Cluster.
(DOI: 10.1021/acs.jctc.9b00741)
The HANDE-QMC Project: Open-Source Stochastic Quantum Chemistry from the Ground State Up
(DOI: 10.1021/acs.jctc.8b01217)
Exciting Determinants in Quantum Monte Carlo: Loading the Dice with Fast, Low-Memory Weights
(DOI: 10.1021/acs.jctc.8b00844)
Large Scale Parallelization in Stochastic Coupled Cluster
(DOI: 10.1063/1.5047420)
A study of the dense uniform electron gas with high orders of coupled cluster.
(DOI: 10.1063/1.5003794)
Stochastic coupled cluster theory: Efficient sampling of the coupled cluster expansion.
(DOI: 10.1063/1.4991795)
Developments in stochastic coupled cluster theory: The initiator approximation and application to the uniform electron gas.
(DOI: 10.1063/1.4942173)
Linked coupled cluster Monte Carlo
(DOI: 10.1063/1.4940317)
Stochastic coupled cluster theory