Erratum: “Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported ‘first row anomaly’ in XH_n (X = C, Si, Ge, Sn; n = 1–4)” [J. Chem. Phys. 156, 244303 (2022)]

Journal Article · 06 February 2024 · Journal of Chemical Physics

DOI: https://doi.org/10.1063/5.0196893 · OSTI ID:2310282

Tzeli, Demeter  ^[1]; Xantheas, Sotiris S.  ^[2]

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1. National and Kapodistrian Univ. of Athens (Greece); National Hellenic Research Foundation (Greece)
2. Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Univ. of Washington, Seattle, WA (United States)

We have noted typographical errors in TABLE V of J. Chem. Phys. 156, 244303 (2022). Specifically, the values of the angles φ_HχH for the XH₂ species in both the (³B₁) and (¹A₁) states were incorrectly reported as half of the correct values. Additionally, the values of the same angles for the XH₃ and XH₄ species were reported correctly.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division (CSGB)
• Grant/Contract Number: AC05-76RL01830; AC02-05CH11231
• OSTI ID: 2310282
• Report Number(s): PNNL-SA--194888
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 5 Vol. 160; ISSN 0021-9606
• Publisher: American Institute of Physics (AIP)Copyright Statement
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Atomic and molecular electronic structure
Electron correlation calculations
Electronic state
Many body systems