Theoretical Methods for Better Core Level Photoelectron Spectroscopy

Project Information

THEOCORPES

Grant agreement ID: 892943

DOI

10.3030/892943

Project closed

EC signature date 4 March 2020

Start date 1 August 2021

End date 30 August 2023

Funded under

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Total cost

€ 154 193,28

EU contribution

€ 154 193,28

Coordinated by

TARTU ULIKOOL
Estonia

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Publications

Peer reviewed articles (4)

Combining the $\Delta$-Self-Consistent-Field and GW Methods for Predicting Core Electron Binding Energies in Periodic Solids

Author(s): J. Matthias Kahk; Johannes Lischner
Published in: J. Chem. Theory Comput., Issue 19, 2023, Page(s) 3276-3283, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.3c00121

Plasmon-induced hot carriers from interband and intraband transitions in large noble metal nanoparticles

Author(s): Hanwen Jin; Juhan Matthias Kahk; Dimitrios A. Papaconstantopoulos; Aires Ferreira; Johannes Lischner
Published in: PRX Energy, Issue 1, 2022, Page(s) 013006, ISSN 2768-5608
Publisher: American Physical Society
DOI: 10.48550/arxiv.2201.10534

Predicting Core Electron Binding Energies in Elements of the First Transition Series Using the $Δ$-Self-Consistent-Field Method

Author(s): J. Matthias Kahk; Johannes Lischner
Published in: Faraday Discussions, Issue 236, 2022, Page(s) 364, ISSN 1359-6640
Publisher: Royal Society of Chemistry
DOI: 10.48550/arxiv.2112.04200

Combining time-dependent density functional theory and the $\Delta$SCF approach for accurate core-electron spectra

Author(s): Marcus Annegarn; Juhan Matthias Kahk; Johannes Lischner
Published in: J. Chem. Theory Comput., Issue 18, 2022, Page(s) 7620-7629, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.48550/arxiv.2209.04253