{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/fully-ab-initio-all-electron-calculation-of","title":"Fully ab-initio all-electron calculation of dark matter--electron scattering in crystals with evaluation of systematic uncertainties","arxiv_id":"2306.14944","date":"2023-06-26","proceeding":null,"authors":["Cyrus E. Dreyer","Rouven Essig","Marivi Fernandez-Serra","Aman Singal","Cheng Zhen"],"abstract":"We calculate target-material responses for dark matter--electron scattering at the \\textit{ab-initio} all-electron level using atom-centered gaussian basis sets. The all-electron effects enhance the material response at high momentum transfers from dark matter to electrons, $q\\gtrsim \\mathcal{O}\\left({10\\ \\alpha m_e}\\right)$, compared to calculations using conventional plane wave methods, including those used in QEDark; this enhances the expected event rates at energy transfers $E \\gtrsim 10$~eV, especially when scattering through heavy mediators. We carefully test a range of systematic uncertainties in the theory calculation, including those arising from the choice of basis set, exchange-correlation functional, number of unit cells in the Bloch sum, $\\mathbf{k}$-mesh, and neglect of scatters with very high momentum transfers. We provide state-of-the-art crystal form factors, focusing on silicon and germanium. Our code and results are made publicly available as a new tool, called Quantum Chemistry Dark (``QCDark'').","url_abs":"https://arxiv.org/abs/2306.14944v1","url_pdf":"https://arxiv.org/pdf/2306.14944v1.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"links_only","authors_date_abstract":"arXiv metadata, CC0 1.0 (https://info.arxiv.org/help/license), from the Kaggle arXiv metadata snapshot of 2026-09-12"},"code_links":[{"paper_slug":"fully-ab-initio-all-electron-calculation-of","repo_url":"https://github.com/asingal14/qcdark","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":0,"framework":"none","reach":null}],"tasks":[],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}