Over 4000 free audio and video lectures, seminars and teaching resources from Oxford University.
Skip to Content Skip to Navigation

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

Loading Video...
Duration: 1:07:13 | Added: 11 Oct 2016
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.

Oxford Unit:
Copy and paste this HTML snippet to embed the audio or video on your site: