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CORDIS

A quantum chemical approach to dynamic properties of real materials

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Stochastically accelerated perturbative triples correction in coupled cluster calculations (opens in new window)

Author(s): Damour, Yann; Gallo, Alejandro; Scemama, Anthony
Published in: The Journal of Chemical Physics, 2024, ISSN 1089-7690
Publisher: American Institute of Physics (AIP)
DOI: 10.48550/ARXIV.2405.16962

New Journal of Physics (opens in new window)

Author(s): S Takatori; M Pimon; S Pollitt; M Bartokos; K Beeks; A Grüneis; T Hiraki; T Honma; N Hosseini; A Leitner; T Masuda; I Morawetz; K Nitta; K Okai; T Riebner; F Schaden; T Schumm; O Sekizawa; T Sikorsky; Y Takahashi; L Toscani De Col; R Yamamoto; T Yomogida; A Yoshimi; K Yoshimura
Published in: New Journal of Physics, 2025, ISSN 1367-2630
Publisher: IOP Publishing
DOI: 10.1088/1367-2630/ADCE22

Faraday Discussions (opens in new window)

Author(s): Johanna P. Carbone; Andreas Irmler; Alejandro Gallo; Tobias Schäfer; William Z. Van Benschoten; James J. Shepherd; Andreas Grüneis
Published in: Faraday Discussions, 2024, ISSN 1359-6640
Publisher: Royal Society of Chemistry
DOI: 10.1039/D4FD00085D

Understanding discrepancies in noncovalent interaction energies from wavefunction theories for large molecules (opens in new window)

Author(s): Tobias Schäfer, Andreas Irmler, Alejandro Gallo, Andreas Grüneis
Published in: Nature Communications, Issue 16, 2025, ISSN 2041-1723
Publisher: Springer Science and Business Media LLC
DOI: 10.1038/S41467-025-64104-8

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