most citedDetermining the N-representability of a reduced density matrix via unitary evolution and stochastic sampling

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cond-mat.mtrl-sci2026

A Wannier-first approach for extended chiral systems

Yashpal Singh, Juan E. Peralta, Koblar A. Jackson +1

We present a real-space formulation of DFT for extended systems in which localized Wannier-like functions are constructed directly from localized Gaussian basis functions without e…