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MAGSPEC SIGNED

Spectra of Molecules in Strong Magnetic Fields

Total Cost €

0

EC-Contrib. €

0

Partnership

0

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 MAGSPEC project word cloud

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

theory    energy    forces    interesting    excitation    play    describe    data    mrcc    regimes    spectroscopy    energies    nor    sdft    fundamental    white    accurately    spectra    physics    stars    cdft    principles    density    distortion    phenomena    spin    objects    hartree    correlation    terrestrial    approximation    understand    tackling    magnetic    little    complexity    standard    weaker    multidisciplinary    fock    perturbation    source    distortions    types    exchange    mechanism    functionals    chemistry    formulated    compute    perturbative    astrochemical    strengths    intermediate    surfaces    dft    relativistic    particle    orbital    microscopic    practical    dwarfs    removed    molecules    collinear    stellar    breakdown    severely    approximations    pertinent    levels    random    explored    imply    shaping    analysing    methodology    electronic    inter    srcc    cc    10    theoretical       regime    uniform    reveal    employed    benchmarking    interaction    functional    varying    quantum    perturbatively    earth    situations    interpret    neutron    ie    distort   

Project "MAGSPEC" data sheet

The following table provides information about the project.

Coordinator
UNIVERSITETET I OSLO 

Organization address
address: PROBLEMVEIEN 5-7
city: OSLO
postcode: 313
website: www.uio.no

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 Norway [NO]
 Total cost 208˙400 €
 EC max contribution 208˙400 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2016
 Funding Scheme MSCA-IF-EF-ST
 Starting year 2018
 Duration (year-month-day) from 2018-02-15   to  2021-01-22

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITETET I OSLO NO (OSLO) coordinator 208˙400.00

Map

 Project objective

Electronic spectroscopy is one among several types of spectroscopy employed to study molecules in stellar objects. Strong magnetic fields, as in white-dwarfs and neutron stars, can severely distort these spectra. To accurately interpret the data, we must understand the forces shaping the spectra in situations so far removed from terrestrial conditions. Such strong fields also imply a breakdown of the perturbative mechanism commonly used for studying magnetic phenomena in the pertinent regimes on earth. We shall focus on the intermediate regime of field strengths (~10^5 T), where, neither the magnetic field nor the inter-particle interaction can be treated as a perturbation leading to novel physics and chemistry, that remains little explored for molecules. This project seeks to develop the methodology to compute excitation energies and potential energy surfaces in the presence of strong uniform and non-uniform magnetic fields, included non-perturbatively, at varying levels of theoretical complexity (Hartree-Fock, Density Functional Theory, Random Phase Approximation, SRCC and MRCC) and study the distortion of these spectra across a range of magnetic field strengths. We shall focus on analysing the source of these distortions at the microscopic level, ie. which of orbital effects, spin effects, correlation effects and relativistic effects play the determining role. This project is multidisciplinary using principles of quantum chemistry in tackling astrochemical problems. The study is fundamental and is expected to reveal interesting results relevant even for the weaker fields on earth. The benchmarking of the standard DFT exchange-correlation functionals against CC in the regime of strong magnetic fields will have a long-term impact as most existing DFT approximations have been formulated within DFT or collinear spin DFT (SDFT); practical DFT functionals to describe molecules in magnetic fields (e.g. at the CDFT or non-collinear SDFT level) are much less developed.

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The information about "MAGSPEC" are provided by the European Opendata Portal: CORDIS opendata.

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