Entanglement Based Approaches in Quantum Chemistry

Date

Sep 4, 2012 - Sep 6, 2012

Time

9:00 AM - 6:00 PM

Speaker

Örs Legeza, Beate Paulus, Markus Reiher, Reinhold Schneider

Affiliation

Wigner Research Centre for Physics, Hungarian Academy of Sciences, Budapest, Hungary; Institut für Chemie und Biochemie - Physikalische und Theoretische Chemie, FU Berlin, Berlin, Germany; Laboratorium für Physikalische Chemie, ETH Zürich, Zürich, Sw

Series

MPI-PKS Workshops, Seminare und Konferenzen

Language

en

Main Topic

Physik

Other Topics

Physik, Chemie

Host

Mandy Lochar

Description

The computation of the electronic structure is an outmost important task for molecular engineering in modern chemistry and material science. Quantum information entropy can be used to determine the entanglement among the orbitals. This concept has already led to the development of novel methods such as the quantum chemistry version of the density matrix renormalization group method and various tensor-network state approaches. The aim of the focus workshop is to bring together theoretical chemists with their expertise in molecular structure theory, condensed matter physicists and mathematicians, to continue the exploration of this entirely new field of research and to stimulate further developments of tensor network methods.

Links

• Registration and Program

Last modified: Mar 20, 2012, 1:17:22 PM