Correlated electronic structure: What can physicists and chemists learn from each other?

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• Dr George Booth
• Thursday 25 May 2017, 14:15-15:15
• TCM Seminar Room, Cavendish Laboratory.

If you have a question about this talk, please contact Gareth Conduit.

The development of post-DFT electronic structure methods has often evolved differently in the physics and chemistry communities. This has generally been a function of the applications which the methods have been applied to. However, as the community pushes towards quantitative accuracy for systems where stronger correlation effects are present and must be accurately resolved for even qualitative features of the system to emerge, what can we learn from the other field? In this talk, we will try to appreciate the differences in perspective of both approaches, and by taking some of the most prominent examples of “physics” electronic structure (Dynamical Mean-field Theory and Variational Quantum Monte Carlo), see what can be achieved by recasting them in a form more natural to a quantum chemist. This will motivate new electronic structure approaches with favourable properties by aiming for the best of both worlds. These will be applied to both lattice, solid-state and molecular examples of strong correlation effects.

This talk is part of the Theory of Condensed Matter series.

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