TY  - RPRT
TI  - Cartesian equivariant representations for learning and understanding molecular orbitals
AU  - King, Daniel S. [University of Chicago, IL (United States); University of California, Berkeley, CA (United States)]
AU  - Grzenda, Daniel [University of Chicago, IL (United States)]
AU  - Zhu, Ray [Pritzker School of Molecular Engineering, Chicago, IL (United States)]
AU  - Hudson, Nathaniel [University of Chicago, IL (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)]
AU  - Foster, Ian [University of Chicago, IL (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)]
AU  - Cheng, Bingqing [University of California, Berkeley, CA (United States); The Institute of Science and Technology Austria, Klosterneuburg (Austria)] (ORCID:0000000235849632)
AU  - Gagliardi, Laura [University of Chicago, IL (United States); Pritzker School of Molecular Engineering, Chicago, IL (United States)]
PY  - 2025
DO  - 10.1073/pnas.2510235122
UR  - https://www.osti.gov/biblio/3005506
ID  - 3005506
ER  -