Papers › QCMATH: Mathematica modules for electronic structure calculations
QCMATH: Mathematica modules for electronic structure calculations
Enzo Monino, Antoine Marie, Pierre-François Loos
The archive published only this paper's code-link row. Authors, date and abstract are from arXiv's metadata (CC0), read from the Kaggle arXiv metadata snapshot of 2026-09-12 where its title matched the archive's; the title is the archive's.
We introduce \textsc{qcmath}, a user-friendly quantum chemistry software tailored for electronic structure calculations, implemented using the Wolfram Mathematica language and available at \url{https://github.com/LCPQ/qcmath}. This software, designed with accessibility in mind, takes advantage of the symbolic capabilities intrinsic to Mathematica. Its primary goal is to provide a supportive environment for newcomers to the field of quantum chemistry, enabling them to easily conceptualize, develop, and test their own ideas. The functionalities of \textsc{qcmath} encompass a broad spectrum of methods, catering to both ground- and excited-state calculations. We provide a comprehensive overview of these capabilities, complemented by essential theoretical insights. To facilitate ease of use, we offer an exhaustive blueprint of the software's architecture. Furthermore, we provide users with comprehensive guides, addressing both the operational aspects and the more intricate programming facets of \textsc{qcmath}.
Code
Repository list and official/mentioned flags are the archive's, frozen 2025-07-28. Reachability, where shown, is from one Syntology probe window (2026-09-16 to 2026-09-18); repositories not probed show nothing. GitHub stars are not tracked.
Code Syntology ran Syntology
Not run by Syntology. Nothing on this page verifies that the listed code works.
Results from the paper archive 2025-07-28
No leaderboard rows for this paper in the archive.
Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections