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Mathematical Methods in Quantum Chemistry

dc.date.accessioned2019-10-24T15:41:37Z
dc.date.available2019-10-24T15:41:37Z
dc.date.issued2018
dc.identifier.urihttp://publications.mfo.de/handle/mfo/3635
dc.description.abstractThe field of quantum chemistry is concerned with the modelling and simulation of the behaviour of molecular systems on the basis of the fundamental equations of quantum mechanics. Since these equations exhibit an extreme case of the curse of dimensionality (the Schrödinger equation for N electrons being a partial differential equation on R3N ), the quantum-chemical simulation of even moderate-size molecules already requires highly sophisticated model-reduction, approximation, and simulation techniques. The workshop brought together selected quantum chemists and physicists, and the growing community of mathematicians working in the area, to report and discuss recent advances on topics such as coupled-cluster theory, direct approximation schemes in full configuration-interaction (FCI) theory, interacting Green’s functions, foundations and computational aspects of densityfunctional theory (DFT), low-rank tensor methods, quantum chemistry in the presence of a strong magnetic field, and multiscale coupling of quantum simulations.
dc.titleMathematical Methods in Quantum Chemistry
dc.rights.licenseDieses Dokument darf im Rahmen von § 53 UrhG zum eigenen Gebrauch kostenfrei heruntergeladen, gelesen, gespeichert und ausgedruckt, aber nicht im Internet bereitgestellt oder an Außenstehende weitergegeben werden.de
dc.rights.licenseThis document may be downloaded, read, stored and printed for your own use within the limits of § 53 UrhG but it may not be distributed via the internet or passed on to external parties.en
dc.identifier.doi10.14760/OWR-2018-13
local.series.idOWR-2018-13
local.subject.msc81
local.subject.msc65
local.sortindex1075
local.date-range18 Mar - 24 Mar 2018
local.workshopcode1812
local.workshoptitleMathematical Methods in Quantum Chemistry
local.organizersEric Cancès, Paris; Gero Friesecke, München; Trygve Ulf Helgaker, Oslo; Lin Lin, Berkeley
local.report-nameWorkshop Report 2018,13
local.opc-photo-id1812
local.publishers-doi10.4171/OWR/2018/13
local.ems-referenceCancès Eric, Friesecke Gero, Helgaker Trygve Ulf, Lin Lin: Mathematical Methods in Quantum Chemistry. Oberwolfach Rep. 15 (2018), 631-721. doi: 10.4171/OWR/2018/13


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