{"paper":{"title":"Node-less atomic wave functions, Pauli repulsion and systematic projector augmentation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.other"],"primary_cat":"physics.chem-ph","authors_text":"Clemens F\\\"orst, Peter E. Bl\\\"ochl","submitted_at":"2012-10-22T15:48:14Z","abstract_excerpt":"A construction of node-less atomic orbitals and energy-dependent, node-reduced partial waves is presented, that contains the full information of the atomic eigenstates and that allows to represent the scattering properties in a transparent manner. By inverting the defining Schr\\\"odinger equation, the Pauli repulsion by the core electrons can be represented as effective potential. This construction also provides a description of the Pauli repulsion by an environment. Furthermore, the representation leads to a new systematic scheme for a projector augmentation. The relation to Slater orbitals is"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1210.5937","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"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"}