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Volume 121, 2023 - Issue 11-12: Special Issue of Molecular Physics in Honour of Péter Szalay

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Péter G. Szalay Special Issue of Molecular Physics

Pursuing the basis set limit of CCSD(T) non-covalent interaction energies for medium-sized complexes: case study on the S66 compilation

Péter R. Nagya Faculty of Chemical Technology and Biotechnology, Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, Budapest, Hungary;b ELKH-BME Quantum Chemistry Research Group, Budapest, HungaryCorrespondence[email protected]

https://orcid.org/0000-0001-6692-0879 View further author information

László Gyevi-Nagya Faculty of Chemical Technology and Biotechnology, Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, Budapest, Hungary;b ELKH-BME Quantum Chemistry Research Group, Budapest, Hungary

https://orcid.org/0000-0002-4757-3098 View further author information

Balázs D. Lőrincza Faculty of Chemical Technology and Biotechnology, Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, Budapest, Hungary;b ELKH-BME Quantum Chemistry Research Group, Budapest, Hungary

https://orcid.org/0000-0002-7573-8099 View further author information

Mihály Kállaya Faculty of Chemical Technology and Biotechnology, Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, Budapest, Hungary;b ELKH-BME Quantum Chemistry Research Group, Budapest, Hungary

https://orcid.org/0000-0003-1080-6625 View further author information

Article: e2109526 | Received 13 Jun 2022, Accepted 28 Jul 2022, Published online: 08 Aug 2022

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https://doi.org/10.1080/00268976.2022.2109526
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Pursuing the basis set limit of CCSD(T) non-covalent interaction energies for medium-sized complexes: case study on the S66 compilation

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Pursuing the basis set limit of CCSD(T) non-covalent interaction energies for medium-sized complexes: case study on the S66 compilation

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