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  • Cukras, Janusz, et al. (author)
  • A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion
  • 2016
  • In: Physical Chemistry, Chemical Physics - PCCP. - : ROYAL SOC CHEMISTRY. - 1463-9076 .- 1463-9084. ; 18:19, s. 13267-13279
  • Journal article (peer-reviewed)abstract
    • A computational protocol for magneto-chiral dichroism and magneto-chiral birefringence dispersion is presented within the framework of damped response theory, also known as complex polarization propagator theory, at the level of time-dependent Hartree-Fock and time-dependent density functional theory. Magneto-chiral dichroism and magneto-chiral birefringence spectra in the (resonant) frequency region below the first ionization threshold of R-methyloxirane and L-alanine are presented and compared with the corresponding results obtained for both the electronic circular dichroism and the magnetic circular dichroism. The additional information content yielded by the magneto-chiral phenomena, as well as their potential experimental detectability for the selected species, is discussed.
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Type of publication
journal article (1)
Type of content
peer-reviewed (1)
Author/Editor
Norman, Patrick (1)
Kauczor, Joanna (1)
Coriani, Sonia (1)
Rizzo, Antonio (1)
Cukras, Janusz (1)
Rikken, Geert L. J. ... (1)
University
Royal Institute of Technology (1)
Linköping University (1)
Language
English (1)
Research subject (UKÄ/SCB)
Natural sciences (1)
Year

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