# Erratum: Giant Splitting of the Hydrogen Rotational Eigenenergies in the C2 Filled Ice [Phys. Rev. Lett., 236101 (2024)]

Simone Di Cataldo, Maria Rescigno, Lorenzo Monacelli, Umbertoluca Ranieri, Richard Gaal, Stefan Klotz, Jacques Ollivier, Michael Marek Koza, Cristiano de Michele, Livia Eleonora Bove

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Simone Di Cataldo, Maria Rescigno, Lorenzo Monacelli, Umbertoluca Ranieri, Richard Gaal, et al. Erratum: Giant Splitting of the Hydrogen Rotational Eigenenergies in the C2 Filled Ice [Phys. Rev. Lett., 236101 (2024)]. Physical Review Letters, 2025, 135, 10.1103/srpf-rp6z. hal-05404317

HAL Id: hal-05404317

https://hal.sorbonne-universite.fr/hal-05404317v1

Submitted on 8 Dec 2025

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# Erratum: Giant Splitting of the Hydrogen Rotational Eigenenergies in the C₂ Filled Ice [Phys. Rev. Lett. 133, 236101 (2024)]

Simone Di Cataldo*, Maria Rescigno, Lorenzo Monacelli, Umbertoluca Ranieri, Richard Gaal, Stefan Klotz, Jacques Ollivier, Michael Marek Koza, Cristiano De Michele, and Livia Eleonora Bove

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(Received 2 May 2025; published 4 September 2025)

DOI: 10.1103/srpf-rp6z

In the original Letter an incorrect linear shift of the spherical angles describing the H₂ orientation was applied while constructing the lattice-derived rotational potential V(θ, φ). Such a shift is valid in Cartesian coordinates but distorts the topology of spherical configuration space, leading to an artificial amplification of anisotropy and, consequently, to a modified splitting of the *J* = 1 manifold. We have recomputed V(θ, φ) in the original crystallographic frame, without any angular shift; the Schrödinger equation solved on this corrected surface yields revised transition energies of 10.9, 15.8, and 18.7 meV, here averaged over different proton-disordered configurations of the ice network. These results replace the results in Figs. 1 and 2 of the Letter. The Supplemental Material has been updated to correct the error described here. All qualitative conclusions remain unchanged.

*Acknowledgments*—The authors thank Loan Renaud for useful discussions and assistance with the identification of the error's origin.

<figure><img src="image_4.png" /><figcaption>FIG. 1. Amended crystal potential and corresponding eigenvalues and eigenvectors. (a) Radial part; (b) calculated potential; (c) interpolated potential; (d) eigenvalues and energy transitions; (e) eigenfunctions for each eigenvalue. The eigenvectors are shown as probability density isosurfaces (cutoff $2 \times 10^{-5}$), surrounded by their cross section with the *x* = 0, *y* = 0, and *z* = 0 planes.</figcaption></figure>