Post-CCSD(T) corrections to bond distances and vibrational frequencies: the power of Λ

Maciej Spiegela Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Reovot, Israel;b Department of Pharmacognosy and Herbal Medicines, Wroclaw Medical University, Wrocław, PolandView further author information

Emmanouil Semidalasa Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Reovot, IsraelView further author information

Jan M. L. Martina Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Reovot, IsraelCorrespondence[email protected]
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Megan R. Bentleyc Quantum Theory Project, Department of Chemistry, University of Florida, Gainesville, FL, USAView further author information

John F. Stantonc Quantum Theory Project, Department of Chemistry, University of Florida, Gainesville, FL, USAView further author information

Article: e2252114 | Received 28 Jul 2023, Accepted 22 Aug 2023, Published online: 01 Sep 2023

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https://doi.org/10.1080/00268976.2023.2252114
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