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A complex-polarizat...
A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion
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- Cukras, Janusz (författare)
- University of Trieste, Italy; University of Warsaw, Poland
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- Kauczor, Joanna (författare)
- Linköpings universitet,Institutionen för fysik, kemi och biologi,Tekniska fakulteten
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- Norman, Patrick (författare)
- Linköpings universitet,Teoretisk kemi,Tekniska fakulteten
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- Rizzo, Antonio (författare)
- IPCF CNR, Italy
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- Rikken, Geert L. J. A. (författare)
- UPS, France; UPS, France
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- Coriani, Sonia (författare)
- University of Trieste, Italy; Aarhus University, Denmark
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(creator_code:org_t)
- 2016
- 2016
- Engelska.
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Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : ROYAL SOC CHEMISTRY. - 1463-9076 .- 1463-9084. ; 18:19, s. 13267-13279
- Relaterad länk:
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https://arts.units.i...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- 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.
Ämnesord
- NATURVETENSKAP -- Fysik -- Annan fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Other Physics Topics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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