liu.seSearch for publications in DiVA
System disruptions
We are currently experiencing disruptions on the search portals due to high traffic. We are working to resolve the issue, you may temporarily encounter an error message.
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion
University of Trieste, Italy; University of Warsaw, Poland.
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, Faculty of Science & Engineering.
Linköping University, Department of Physics, Chemistry and Biology, Theoretical Chemistry. Linköping University, Faculty of Science & Engineering.
IPCF CNR, Italy.
Show others and affiliations
2016 (English)In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 18, no 19, p. 13267-13279Article in journal (Refereed) Published
Resource type
Text
Abstract [en]

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.

Place, publisher, year, edition, pages
ROYAL SOC CHEMISTRY , 2016. Vol. 18, no 19, p. 13267-13279
National Category
Other Physics Topics
Identifiers
URN: urn:nbn:se:liu:diva-129155DOI: 10.1039/c6cp01465hISI: 000376138000016PubMedID: 27118603OAI: oai:DiVA.org:liu-129155DiVA, id: diva2:936042
Note

Funding Agencies|University of Trieste [CHIM02-Ricerca]; PRIN funding scheme [2009C28YBF_001]; AIAS-COFUND Marie-Curie program [609033]; COST-CMTS Action COnvergent Distributed Environment for Computational Spectroscopy (CODECS) [CM1002]; Interdisciplinary Centre for Mathematical and Computational Modelling (ICM); University of Warsaw [G56-20]

Available from: 2016-06-13 Created: 2016-06-13 Last updated: 2017-11-28

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textPubMed

Authority records

Kauczor, JoannaNorman, Patrick

Search in DiVA

By author/editor
Kauczor, JoannaNorman, Patrick
By organisation
Department of Physics, Chemistry and BiologyFaculty of Science & EngineeringTheoretical Chemistry
In the same journal
Physical Chemistry, Chemical Physics - PCCP
Other Physics Topics

Search outside of DiVA

GoogleGoogle Scholar

doi
pubmed
urn-nbn

Altmetric score

doi
pubmed
urn-nbn
Total: 291 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • oxford
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf