{"paper":{"title":"On the accuracy of a recent regularized nuclear potential","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.comp-ph","authors_text":"Susi Lehtola","submitted_at":"2023-02-19T12:28:17Z","abstract_excerpt":"F. Gygi recently suggested an analytic, norm-conserving, regularized nuclear potential to enable all-electron plane-wave calculations [J. Chem. Theory Comput. 2023, 19, 1300--1309]. This potential $V(r)$ is determined by inverting the Schr\\\"odinger equation for the wave function ansatz $\\phi(\\boldsymbol{r})=\\exp[-h(\\boldsymbol{r})]/\\sqrt{\\pi}$ with $h(\\boldsymbol{r})=r\\text{erf}(ar)+b\\exp(-a^{2}r^{2})$, where $a$ and $b$ are parameters. Gygi fixes $b$ by demanding $\\phi$ to be normalized, the value $b(a)$ depending on the strength of the regularization controlled by $a$. We begin this work by "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2302.09557","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2302.09557/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}