Seven useful questions in density functional theory

• Published in: Letters in mathematical physics Vol. 113; no. 2
• Main Authors: Crisostomo, Steven, Pederson, Ryan, Kozlowski, John, Kalita, Bhupalee, Cancio, Antonio C., Datchev, Kiril, Wasserman, Adam, Song, Suhwan, Burke, Kieron
• Format: Journal Article
• Language: English
• Published: Dordrecht Springer Netherlands 09.04.2023; Springer
• Subjects: Complex Systems; Geometry; Group Theory and Generalizations; Mathematical and Computational Physics; Mathematical Physics and Numerical Simulation of Many-Particle Systems; Physics; Physics and Astronomy; Theoretical; Density functional theory; 81; Semiclassical physics; Electronic structure theory; Quantum chemistry; Quantum physics

We explore a variety of unsolved problems in density functional theory, where mathematicians might prove useful. We give the background and context of the different problems, and why progress toward resolving them would help those doing computations using density functional theory. Subjects covered...