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FACT SIGNED

Factorizing the wave function of large quantum systems

Total Cost €

0

EC-Contrib. €

0

Partnership

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 FACT project word cloud

Explore the words cloud of the FACT project. It provides you a very rough idea of what is the project "FACT" about.

exact    first    schr    semi    theory    correlations    density    electromagnetic    complicated    ultimately    strategy    instead    infinite    electrons    versatility    carlo    quantized    scenarios    molecular    systematic    motion    tensor    ingredient    combining    particle    enormous    subsystems    adiabatic    satisfying    functional    deal    feynman    standard    solids    add    conditional    reduce    movements    lies    configuration    diagrams    photons    interaction    cluster    perform    sophisticated    coupled    complexity    monte    networks    approximation    dynamical    metallic    technique    natural    decomposing    probability    factorization    smaller    molecules    equation    forth    local    purely    mean    scenario    phonon    variety    isomerization    power    describe    bath    dinger    regular    full    puts    amplitude    ouml    subsystem    leads    electronic    hermitian    quantum    tackle    requiring    wave    deals    function    asymmetric    linear    necessarily    nuclei    hamiltonian    nuclear    attached    techniques   

Project "FACT" data sheet

The following table provides information about the project.

Coordinator
THE HEBREW UNIVERSITY OF JERUSALEM 

Organization address
address: EDMOND J SAFRA CAMPUS GIVAT RAM
city: JERUSALEM
postcode: 91904
website: www.huji.ac.il

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Israel [IL]
 Total cost 2˙443˙932 €
 EC max contribution 2˙443˙932 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2017-ADG
 Funding Scheme ERC-ADG
 Starting year 2019
 Duration (year-month-day) from 2019-09-01   to  2024-08-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    THE HEBREW UNIVERSITY OF JERUSALEM IL (JERUSALEM) coordinator 2˙443˙932.00

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 Project objective

This proposal puts forth a novel strategy to tackle large quantum systems. A variety of highly sophisticated methods such as quantum Monte Carlo, configuration interaction, coupled cluster, tensor networks, Feynman diagrams, dynamical mean-field theory, density functional theory, and semi-classical techniques have been developed to deal with the enormous complexity of the many-particle Schrödinger equation. The goal of our proposal is not to add another method to these standard techniques but, instead, we develop a systematic way of combining them. The essential ingredient is a novel way of decomposing the wave function without approximation into factors that describe subsystems of the full quantum system. This so-called exact factorization is asymmetric. In the case of two subsystems, one factor is a wave function satisfying a regular Schrödinger equation, while the other factor is a conditional probability amplitude satisfying a more complicated Schrödinger-like equation with a non-local, non-linear and non-Hermitian “Hamiltonian”. Since each subsystem is necessarily smaller than the full system, the above standard techniques can be applied more efficiently and, most importantly, different standard techniques can be applied to different subsystems. The power of the exact factorization lies in its versatility. Here we apply the technique to five different scenarios: The first two deal with non-adiabatic effects in (i) molecules and (ii) solids. Here the natural subsystems are electrons and nuclei. The third scenario deals with nuclear motion in (iii) molecules attached to semi-infinite metallic leads, requiring three subsystems: the electrons, the nuclei in the leads which ultimately reduce to a phonon bath, and the molecular nuclei which may perform large-amplitude movements, such as current-induced isomerization, (iv) purely electronic correlations, and (v) the interaction of matter with the quantized electromagnetic field, i.e., electrons, nuclei and photons.

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