In my talk I will attempt to provide an overview on the application of the density matrix renormalization group (DMRG) algorithm in quantum chemistry.
DMRG in Quantum Chemistry: From its relation to traditional methods to n-orbital density matrices and beyond
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I will compare to traditional approaches with respect to limitations and capabilities. I will highlight the ma- trix product operator structure of our second-generation DMRG program and discuss its features. Emphasis will be put on how orbital-entanglement measures can be exploited to automatically select proper active orbital spaces, a major problem of all multi-configurational approaches.
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Academic Lectures from University of Oxford's Department of Physics.
The video series for this podcast includes content previously published in 2016 as 'Reduced Density Matrices in Quantum Physics and Role of Fermionic Exchange Symmetry': "The interdisciplinary workshop brings together experts in quantum science, as e.g. quantum information theory, quantum chemistry, solid state physics and mathematical physics. The aim is to explore from a conceptual viewpoint the...
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