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DMRG in Quantum Chemistry: From its relation to traditional methods to n-orbital density matrices and beyond

Series
Oxford Physics Academic Lectures
Video Embed
In my talk I will attempt to provide an overview on the application of the density matrix renormalization group (DMRG) algorithm in quantum chemistry.
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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(Almost) 25 Years of DMRG - What Is It About?

In this talk, I will introduce DMRG both from the historical (statistical) and modern (matrix product state) perspective, highlighting why it has become the method of choice for one-dimensional quantum systems in and out of equilibrium.
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Episode Information

Series
Oxford Physics Academic Lectures
People
Markus Reiher
Keywords
quantum
matrices
chemistry
Department: Department of Physics
Date Added: 11/10/2016
Duration: 01:07:13

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