Data · dataset · 2026
Ab initio MRD-CI potential energy curves and absolute angular differential cross sections for elastic scattering and charge transfer for He⁺–He
Listed in ScienceDB
He2__PEC.xlsx: Adiabatic potential energy curves (in eV) for the two lowest electronic states of He₂⁺, namely X ²Σᵤ⁺ (ungerade) and A ²Σᵍ⁺ (gerade), as a function of internuclear distance R (in atomic units).
Description
The data were computed using the multi-reference singles and doubles configuration interaction (MRD-CI) method. The dataset covers internuclear distances from 0.5 to 20 a.u.
(201 grid points). These potential energy curves serve as input for the quantum-mechanical molecular-orbital close-coupling (QMOCC) scattering calculations reported in the associated publication.He_-He_DCS.xlsx: Absolute angular differential cross sections (in Ų/sr) for elastic scattering, charge transfer, and individual gerade (A ²Σᵍ⁺) and ungerade (X ²Σᵤ⁺) channel contributions in He⁺(1s)–He(1s²) collisions, computed by the quantum-mechanical molecular-orbital close-coupling (QMOCC) method.
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The dataset contains 12 sheets corresponding to collision energies of 0.005, 0.05, 0.5, 5, 50, 500, 7.5, 62.5, 125, 375, 625 and 1250 eV/u. For each energy, the differential cross sections are tabulated as a function of the laboratory scattering angle from 0.0025° to 90° (corresponding to 0°–180° in the center-of-mass frame). Each sheet provides five columns: laboratory scattering angle, elastic scattering DCS, charge transfer DCS, gerade channel DCS, and ungerade channel DCS.
Links
Where it is published
- DOI doi.org/10.57760/sciencedb.30583 ↗
DOI / persistent id · from scidb cn
Catalogue records · 1
- OAI-PMH record scidb.cn/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=10.57760%2… ↗
metadata API · from scidb cn
Topics
- From keywords
- Earth & Environmental Science · Energy · Engineering · Humanities · Life Sciences · Social Science
Provenance · 1 source records, 11 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| ScienceDB | 10.57760/sciencedb.30583 | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:energy | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:engineering | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:humanities | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| concepts[field].local:field:social-science | mapping · scidb cn | connector:scidb_cn@1.0.0 | |
| description | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/description |
| license | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/rights |
| publication_date | source · scidb cn | connector:scidb_cn@1.0.0 | |
| title | source · scidb cn | connector:scidb_cn@1.0.0 | /metadata/dc/title |