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SUMMARY:Strong electron correlation in molecules
DTSTART:20170309T163000
DTEND:20170309T173000
DTSTAMP:20260501T103555Z
UID:f8f367bc7c7ddf73da7ca098ee7ba49cd1a62e18ea39091abfb8b420
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. Markus Reiher\,\nETH Zurich\nSwitzerland\nDense-lying f
 rontier orbitals in molecules have always posed a severe challenge to quan
 tum chemical methods that aim at accurately predicting or explaining molec
 ular properties. In this talk\, I will present and discuss recent approach
 es that set out to solve the electronic Schroedinger equation for such str
 ongly correlated systems which have been elusive to traditional methods. T
 hese recent approaches\, of which the density matrix renormalization group
  is one\, are conceptually very different from well-established methods su
 ch as configuration interaction and coupled cluster. I shall discuss their
  basic ideas and potential drawbacks and present results from now routine 
 calculations.
LOCATION:BCH 2201 https://plan.epfl.ch/?room==BCH%202201
STATUS:CONFIRMED
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