@misc{indiciaef49eea99bf3b, title = {Cartesian equivariant representations for learning and understanding molecular orbitals}, author = {King, Daniel S. [University of Chicago, IL (United States); University of California, Berkeley, CA (United States)] and Grzenda, Daniel [University of Chicago, IL (United States)] and Zhu, Ray [Pritzker School of Molecular Engineering, Chicago, IL (United States)] and Hudson, Nathaniel [University of Chicago, IL (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)] and Foster, Ian [University of Chicago, IL (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)] and Cheng, Bingqing [University of California, Berkeley, CA (United States); The Institute of Science and Technology Austria, Klosterneuburg (Austria)] (ORCID:0000000235849632) and Gagliardi, Laura [University of Chicago, IL (United States); Pritzker School of Molecular Engineering, Chicago, IL (United States)]}, year = {2025}, doi = {10.1073/pnas.2510235122}, url = {https://www.osti.gov/biblio/3005506}, note = {Source identifier: 3005506} }