【New Publication】Orbital-free density functional theory with first-quantized quantum subroutines

https://arxiv.org/abs/2407.16191 Nishiya et al. at Quemix have proposed a method for calculating ground-state electron densities using orbital-free density functional theory (OF-DFT) with the probabilistic imaginary-time evolution (PITE) method. Combining this with quantum phase estimation (QPE) is expected to enable rapid acquisition of the lowest energy eigenvalues and partial acceleration of self-consistent field (SCF) calculations.