{"id":24360500,"url":"https://github.com/simonsfoundation/hydrogen-benchmark-prx","last_synced_at":"2026-03-08T20:38:53.644Z","repository":{"id":98237144,"uuid":"101897966","full_name":"simonsfoundation/hydrogen-benchmark-PRX","owner":"simonsfoundation","description":null,"archived":false,"fork":false,"pushed_at":"2017-10-09T01:34:45.000Z","size":124,"stargazers_count":7,"open_issues_count":0,"forks_count":1,"subscribers_count":5,"default_branch":"master","last_synced_at":"2025-03-12T08:44:41.696Z","etag":null,"topics":[],"latest_commit_sha":null,"homepage":null,"language":null,"has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"other","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/simonsfoundation.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE.txt","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2017-08-30T15:25:21.000Z","updated_at":"2024-07-01T05:16:26.000Z","dependencies_parsed_at":"2023-06-01T02:15:45.469Z","dependency_job_id":null,"html_url":"https://github.com/simonsfoundation/hydrogen-benchmark-PRX","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/simonsfoundation/hydrogen-benchmark-PRX","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/simonsfoundation%2Fhydrogen-benchmark-PRX","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/simonsfoundation%2Fhydrogen-benchmark-PRX/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/simonsfoundation%2Fhydrogen-benchmark-PRX/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/simonsfoundation%2Fhydrogen-benchmark-PRX/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/simonsfoundation","download_url":"https://codeload.github.com/simonsfoundation/hydrogen-benchmark-PRX/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/simonsfoundation%2Fhydrogen-benchmark-PRX/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":27671507,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2022-07-04T15:15:14.044Z","status":"online","status_checked_at":"2025-12-11T02:00:11.302Z","response_time":56,"last_error":null,"robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":true,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":[],"created_at":"2025-01-18T21:30:24.345Z","updated_at":"2025-12-11T22:30:00.079Z","avatar_url":"https://github.com/simonsfoundation.png","language":null,"funding_links":[],"categories":[],"sub_categories":[],"readme":"# hydrogen-benchmark-PRX\n\nThis is the main directory for the hydrogen chain benchmark data.\nPlease contact shiwei@wm.edu or mmotta@caltech.edu (alternatively mariomotta31416@gmail.com) for questions\n\n#\n\nPaper:\n   Phys. Rev. X 7, 031059 (2017)\n\nTitle:\n   Towards the Solution of the Many-Electron Problem in Real Materials:\n   Equation of State of the Hydrogen Chain with State-of-the-Art Many-Body Methods\n\nAuthors:\n   Mario Motta, David M. Ceperley, Garnet Kin-Lic Chan, John A. Gomez, Emanuel Gull,\n   Sheng Guo, Carlos A. Jiménez-Hoyos, Tran Nguyen Lan, Jia Li, Fengjie Ma, Andrew J. Millis,\n   Nikolay V. Prokof'ev, Ushnish Ray, Gustavo E. Scuseria, Sandro Sorella, Edwin M. Stoudenmire, \n   Qiming Sun, Igor S. Tupitsyn, Steven R. White, Dominika Zgid, and Shiwei Zhang \n   (Simons Collaboration on the Many-Electron Problem)\n\nDOI:\n   https://doi.org/10.1103/PhysRevX.7.031059\n\n#\n\nThis work is licensed under a Creative Commons Attribution 4.0 International License \n(http://creativecommons.org/licenses/by/4.0/).\n\n#\n\nData are in the directories N_number_OBC, N_number_PBC, Thermodynamic-Limit with\n\nOBC          open boundary conditions\nPBC          periodic boundary conditions\nnumber       number of particles (number=10,18,...,102)\n\nInside these directories are data from different methods, named after the technique and basis set\n\ntechnique_basis-b (Examples: DMRG_basis-DZ, AFQMC_basis-CBS, SBDMRG_basis-SBDZ)\n\nTechnique List:\n========================================================================\nAFQMC:      auxiliary-field quantum Monte Carlo\n\nBDMC:       bold diagrammatic Monte Carlo\n\nDMET:       density-matrix embedding theory\n\nDMRG:       density-matrix renormalization group with a quantum chemistry basis\n\nFCI:        full configuration interaction\n\nGF2:        self-consistent second-order Green's function\n\nLRDMC:      lattice-regularized diffusion Monte Carlo\n\nMRCI:       multireference configuration interaction without Davidson correction\n\nMRCI+Q:     multireference configuration interaction with Davidson correction\n\nMRCI+Q+F12: multireference configuration interaction with Davidson and F12 correction\n\nPC-NEVPT2:  strongly contracted N-electron valence state second-order perturbation theory\n\nSC-NEVPT2:  partially contracted N-electron valence state second-order perturbation theory\n\nRHF:        restricted Hartree-Fock\n\nRCCSD:      restricted coupled-cluster with full treatment of singles and doubles\n\nRCCSD(T):   restricted coupled-cluster with full treatment of singles and doubles and perturbative treatment of triples\n\nSC-GW:      fully self-consistent GW\n\nSBDMRG:     specialized DMRG with sliced basis sets\n\nSEET:       self-energy embedding theory\n\nUHF:        unrestricted Hartree-Fock\n\nUCCSD:      unrestricted coupled-cluster with full treatment of singles and doubles\n\nUCCSD(T):   unrestricted coupled-cluster with full treatment of singles and doubles and perturbative treatment of triples\n\nUGF2:       spin-unrestricted self-consistent second-order Green's function\n\nVMC:        variational Monte Carlo [52,53]\n\nBasis List:\n========================================================================\nSTO:   STO-6G\n\nDZ :   cc-pVDZ\n\nTZ :   cc-pVTZ\n\nQZ :   cc-pVQZ\n\n5Z :   cc-pV5Z\n\nSBSTO: sliced-basis STO\n\nSBDZ:  sliced-basis cc-pVDZ\n\nSBTZ:  sliced-basis cc-pVTZ\n\nCBS:   complete basis set limit\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fsimonsfoundation%2Fhydrogen-benchmark-prx","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fsimonsfoundation%2Fhydrogen-benchmark-prx","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fsimonsfoundation%2Fhydrogen-benchmark-prx/lists"}