Skip to main content
Home

Main navigation

  • Home
  • Series
  • People
  • Depts & Colleges

Main navigation

  • Home
  • Series
  • People
  • Depts & Colleges

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

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.

Episode Information

People
Markus Reiher
Keywords
quantum
matrices
chemistry
Department: 
Date Added: 11/10/2016
Duration: 01:07:13

Subscribe

Download

Download Video

Footer

  • About
  • Accessibility
  • Contribute
  • Copyright
  • Contact
  • Privacy
'Oxford Podcasts' Twitter Account @oxfordpodcasts | MediaPub Publishing Portal for Oxford Podcast Contributors | Upcoming Talks in Oxford | © 2011-2022 The University of Oxford