• Kemitorvet, 206, 248

    2800 Kgs. Lyngby

    Denmark

20112023
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Research Output 2011 2019

An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets

Carbone, J. P., Cheng, L., Myhre, R. H., Matthews, D., Koch, H. & Coriani, S., 2019, Advances in Quantum Chemistry. Elsevier, Vol. 79. p. 241-261 21 p. (Advances in Quantum Chemistry).

Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

Benchmark calculations of K-edge ionization energies for first-row elements using scalar-relativistic core-valence-separated equation-of-motion coupled-cluster methods

Liu, J., Matthews, D., Coriani, S. & Cheng, L., 2019, In : Journal of Chemical Theory and Computation. 15, 3, p. 1642-1651 10 p.

Research output: Contribution to journalJournal articleResearchpeer-review

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

Faber, R. & Coriani, S., 2019, (Accepted/In press) In : Physical Chemistry Chemical Physics. 6 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Coupled cluster study of the x-ray absorption spectra of formaldehyde derivatives at the oxygen, carbon, and fluorine K-edges

Frati, F., De Groot, F., Cerezo, J., Santoro, F., Cheng, L., Faber, R. & Coriani, S., 2019, In : Journal of Chemical Physics. 151, 6, 15 p., 064107.

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access

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

Vidal, M. L., Krylov, A. I. & Coriani, S., 2019, (Accepted/In press) In : Physical Chemistry Chemical Physics. 11 p.

Research output: Contribution to journalJournal articleResearchpeer-review

Projects 2015 2023

Activities 2017 2019

Revealing molecular secrets with theoretical beamlines

Sonia Coriani (Invited speaker), Marta Lopez Vidal (Other), Torsha Moitra (Other), Daniil Fedotov (Other), Rasmus Faber (Other)
1 Jul 2019

Activity: Talks and presentationsConference presentations

File

Revealing molecular secrets with theoretical beamlines

Sonia Coriani (Invited speaker)
5 Jun 2019

Activity: Talks and presentationsConference presentations

CD#2019 - 17th International Conference on Chiroptical Spectroscopy

Sonia Coriani (Participant)
23 Jun 201927 Jun 2019

Activity: Attending an eventParticipating in or organising a conference

Molecular Properties and Interactions: A Wonderful Playground for a Theoretical Chemist

Sonia Coriani (Invited speaker)
14 Jul 2019

Activity: Talks and presentationsConference presentations

MQM 2019- 9th Molecular Quantum Mechanics Conference

Sonia Coriani (Participant)
30 Jun 20195 Jul 2019

Activity: Attending an eventParticipating in or organising a conference

File