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Spectra of Molecules in Strong Magnetic Fields

Total Cost €


EC-Contrib. €






 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.

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

Project "MAGSPEC" data sheet

The following table provides information about the project.


Organization address
address: PROBLEMVEIEN 5-7
city: OSLO
postcode: 313

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


Take a look of project's partnership.

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


 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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lastchecktime (2020-10-25 1:35:20) correctly updated