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Embedded correlation within strongly correlated materials

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If you have a question about this talk, please contact Dr. Judith B. Rommel .

‘Embedding’ methods which try to take the accuracy of quantum chemistry and allow access to large condensed phase systems are increasingly popular at the moment, encompassing approaches from QM/MM and density-embedding, to the DMFT method in the physics community. In this talk, I will present a new embedding method, where the intrinsically quantum-mechanical entanglement between subsystems is included by construction. This allows strongly correlated materials to be treated, overcoming many of the limitations of other wavefunction based embedding approaches.

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

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Seminar Room 2, Newton Institute Gatehouse Mott Seminar Room, Cavendish Laboratory Average on weekdays: 9012.53109656 kWh

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