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Stochastic Coupled Cluster Theory

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Coupled Cluster theory is said to be the ‘gold-standard’ of quantum chemistry, sitting at a sweet-spot between accuracy and computational cost. Over the past few years, we have worked out how to solve the Coupled Cluster equations stochastically to any order of truncation. Stochastic sampling vastly reduces the storage (and time) costs for large systems allowing us to solve problems previously inaccessible through conventional methods. In this talk I detail how the method works and show some applications to molecular systems.

This talk is part of the Extra Theoretical Chemistry Seminars series.

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