research

New Paper Published in Nature Communications titled, "Exact exchange-correlation potentials from ground-state electron densities"

For decades now density functional theory (DFT) has been used to break down complicated higher-dimensional many-electron wavefunctions into just single-electron orbitals. The root of the simplification lies in the exchange-correlation (XC) potential, which encapsulates the quantum many-electron interactions, aka how they talk to one another. However, in practice, DFT has remained far from exact due to the unavailability of exact XC potentials, thereby, necessitating the use of approximations.