Data and code for "Electron collision operator for weakly oriented H2O and the order of the orientation-dependent drift correction"

Data and reproducibility code for the article “Electron collision operator for weakly oriented H2O and the order of the orientation-dependent drift correction” (Paper II). The archive contains: the 400-point Born-completed Legendre-coefficient data (b₀, b₁) used in Fig. 2, together with the Paper-I axial asymmetry A_MT; selected fixed-nuclei T/K scattering matrices from the Paper-I UKRmol+ calculation (Zenodo DOI 10.5281/zenodo.23633642) for both the baseline 10⁻⁷ and the tightened 3×10⁻⁸ continuum-orthogonalization deletion thresholds; the general-incidence momentum-transfer kernel code (fast quadrature implementation validated against brute-force quadrature); the unitarized permanent-dipole high-partial-wave K-matrix completion and the orientation-expanded collision-operator post-processing code; the 27-point collision-operator table of Supplemental Table S1; the thermal coefficients H₂ and H_SE evaluated with a prescribed Maxwellian electron distribution (Supplemental Table S2); figure-generation code and final figures; verification scripts, historical run logs, and a column glossary. All operator and thermal quantities are post-processing of the archived fixed-nuclei scattering matrices; no new UKRmol+ scattering calculation is performed by this archive. The thermal coefficients are formal fixed-nuclei model quantities, not a self-consistent water-vapor swarm-mobility prediction; the model limitations are described in the article and its Supplemental Material.

Authors

Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-10-30
DOI
https://doi.org/10.5281/zenodo.23810427
Primary Topic
Atomic and Molecular Physics
Type
article
Field-Weighted Citation Impact
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article

Data and code for "Electron collision operator for weakly oriented H2O and the order of the orientation-dependent drift correction"

Motonobu Sato
Zenodo (CERN European Organization for Nuclear Research)
Atomic and Molecular Physics
article

Data and code for "Electron collision operator for weakly oriented H2O and the order of the orientation-dependent drift correction"

Motonobu Sato
article en

Abstract

Data and reproducibility code for the article “Electron collision operator for weakly oriented H2O and the order of the orientation-dependent drift correction” (Paper II). The archive contains: the 400-point Born-completed Legendre-coefficient data (b₀, b₁) used in Fig. 2, together with the Paper-I axial asymmetry A_MT; selected fixed-nuclei T/K scattering matrices from the Paper-I UKRmol+ calculation (Zenodo DOI 10.5281/zenodo.23633642) for both the baseline 10⁻⁷ and the tightened 3×10⁻⁸ continuum-orthogonalization deletion thresholds; the general-incidence momentum-transfer kernel code (fast quadrature implementation validated against brute-force quadrature); the unitarized permanent-dipole high-partial-wave K-matrix completion and the orientation-expanded collision-operator post-processing code; the 27-point collision-operator table of Supplemental Table S1; the thermal coefficients H₂ and H_SE evaluated with a prescribed Maxwellian electron distribution (Supplemental Table S2); figure-generation code and final figures; verification scripts, historical run logs, and a column glossary. All operator and thermal quantities are post-processing of the archived fixed-nuclei scattering matrices; no new UKRmol+ scattering calculation is performed by this archive. The thermal coefficients are formal fixed-nuclei model quantities, not a self-consistent water-vapor swarm-mobility prediction; the model limitations are described in the article and its Supplemental Material.

Zenodo (CERN European Organization for Nuclear Research)
Openalex Percentile: Top 20%
Atomic and Molecular Physics
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