Sonia Coriani

Sonia Coriani

Professor

DTU CHEMISTRY
Department of Chemistry

Kemi: Faculty

Technical University of Denmark

Kemitorvet

Building 206, room 248

2800 Kgs. Lyngby

Home page

Request a vCard via e-mail.

Publications
Projects
Activities
Courses
Loading

Publications rss feed

2020
 

Accurate Description of Photoionization Dynamical Parameters

Moitra, Torsha ; Ponzi, Aurora ; Koch, Henrik ; Coriani, Sonia ; Decleva, Piero
in: The Journal of Physical Chemistry Letters, vol: 11, issue: 13, pages: 5330-5337

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.jpclett.0c01337

 

Core-valence-separated coupled-cluster-singles-and-doubles complex-polarization-propagator approach to X-ray spectroscopies

Faber, Rasmus ; Coriani, Sonia
in: Physical Chemistry Chemical Physics, vol: 22, issue: 5, pages: 2642-2647

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1039/c9cp03696b

  PDF

Correction: Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states

Vidal, Marta Lopez ; Krylov, Anna I ; Coriani, Sonia
in: Physical Chemistry Chemical Physics, vol: 22, issue: 6, pages: 3744-3747

Type: Comment/debate (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1039/d0cp90012e

  PDF

Dalton Project

Olsen, Jógvan Magnus Haugaard ; Reine, Simen ; Vahtras, Olav ; Kjellgren, Erik ; Reinholdt, Peter ; Hjorth Dundas, Karen Oda ; Li, Xin ; Cukras, Janusz ; Ringholm, Magnus ; Hedegård, Erik D ; Di Remigio, Roberto ; List, Nanna H ; Faber, Rasmus ; Cabral Tenorio, Bruno Nunes ; Bast, Radovan ; Pedersen, Thomas Bondo ; Rinkevicius, Zilvinas ; Sauer, Stephan P A ; Mikkelsen, Kurt V ; Kongsted, Jacob ; Coriani, Sonia ; Ruud, Kenneth ; Helgaker, Trygve ; Jensen, Hans Jørgen Aa ; Norman, Patrick
in: The Journal of Chemical Physics, vol: 152, issue: 21

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1063/1.5144298

 

Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states

Vidal, Marta L. ; Krylov, Anna I. ; Coriani, Sonia
in: Physical Chemistry Chemical Physics, vol: 22, pages: 2693-2703

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1039/c9cp03695d

 

eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods

Folkestad, Sarai D. ; Kjønstad, Eirik F. ; Myhre, Rolf H. ; Andersen, Josefine Hvarregaard ; Balbi, Alice ; Coriani, Sonia ; Giovannini, Tommaso ; Goletto, Linda ; Haugland, Tor S. ; Hutcheson, Anders ; Høyvik, Ida-Marie ; Moitra, Torsha ; Paul, Alexander C. ; Scavino, Marco ; Skeidsvoll, Andreas S. ; Tveten, Åsmund H. ; Koch, Henrik
in: Journal of Chemical Physics, vol: 152, issue: 18

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1063/5.0004713

 

How to stay out of trouble in RIXS calculations within equation-of-motion coupled-cluster damped response theory? Safe hitchhiking in the excitation manifold by means of core-valence separation

Nanda, Kaushik D ; Vidal, Marta L. ; Faber, Rasmus ; Coriani, Sonia ; Krylov, Anna I.
in: Physical Chemistry Chemical Physics, vol: 22, issue: 5, pages: 2629-2641

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1039/c9cp03688a

 

On the basis set selection for calculations of core-level states: different strategies to balance cost and accuracy

Sarangi, Ronit ; Vidal, Marta L. ; Coriani, Sonia ; Krylov, Anna I.
in: Molecular Physics

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020     |    DOI: https://doi.org/10.1080/00268976.2020.1769872

  PDF

Resonant Inelastic X-Ray Scattering Reveals Hidden Local Transitions of the Aqueous OH Radical

Kjellsson, L ; Nanda, K D ; Rubensson, J-E ; Doumy, G ; Southworth, S H ; Ho, P J ; March, A M ; Al Haddad, A ; Kumagai, Y ; Tu, M-F ; Schaller, R D ; Debnath, T ; Bin Mohd Yusof, M S ; Arnold, C ; Schlotter, W F ; Moeller, S ; Coslovich, G ; Koralek, J D ; Minitti, M P ; Vidal, Marta Lopez ; Simon, M ; Santra, R ; Loh, Z-H ; Coriani, Sonia ; Krylov, A I ; Young, L
in: Physical Review Letters, vol: 124, issue: 23

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1103/PhysRevLett.124.236001

  PDF

Structure Elucidation of Prenyl- and Geranyl-Substituted Coumarins in Gerbera piloselloides by NMR Spectroscopy, Electronic Circular Dichroism Calculations, and Single Crystal X-ray Crystallography

Li, Tuo ; Ma, Xue ; Fedotov, Daniil ; Kjærulff, Louise ; Frydenvang, Karla ; Coriani, Sonia ; Hansen, Paul Robert ; Kongstad, Kenneth T ; Stærk, Dan
in: Molecules, vol: 25, issue: 7

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.3390/molecules25071706