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CCSDT+ in Model Solid Systems (Hubbard Model and UEG)

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If you have a question about this talk, please contact Alex Thom.

My research uses coupled cluster Monte Carlo (CCMC) techniques to gain a better understanding of electronic processes in systems such as solids. Coupled cluster can give very accurate energies in systems where many electrons interact with each other (it is able to give “chemical accuracy”) and can be used to calculate features such as activation energies or bond energies accurately. To get an idea of how CCMC behaves in solids, I have looked into two model solid system, the uniform electron gas and the Hubbard model. This helps understanding what coupled cluster truncation level is needed to reach a desired accuracy and how the computational difficulty scales with truncation level. At the talk I will present results of how the accuracy and computational difficulty vary with truncation level using “shoulder height” and “inefficiency” as measures.

This talk is part of the Electronic Structure Theory series.

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