{"paper":{"title":"Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.str-el","physics.atom-ph","physics.chem-ph"],"primary_cat":"physics.comp-ph","authors_text":"Anouar Benali, Anthony Fert\\'e, Anthony Scemama, Barth\\'el\\'emy Pradines, Emmanuel Giner, Gr\\'egoire David, Jean-Paul Malrieu, Julien Paquier, Julien Toulouse, Kevin Gasperich, Michel Caffarel, Micka\\\"el V\\'eril, Nicolas Renon, Peter Reinhardt, Pierre-Fran\\c{c}ois Loos, Pierrette Barbaresco, Roland Assaraf, Thomas Applencourt, Yann Garniron","submitted_at":"2019-02-21T17:33:39Z","abstract_excerpt":"\\textsc{Quantum Package} is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determinant-driven selected configuration interaction (sCI) methods and multi-reference second-order perturbation theory (PT2). The determinant-driven framework allows the programmer to include any arbitrary set of determinants in the reference space, hence providing greater methodological freedoms. The sCI method implemented in \\textsc{Quantum Package} is based on the CIPSI (Configuration Interaction using a Perturbative Sel"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1902.08154","kind":"arxiv","version":3},"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/1902.08154/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"}