Author

Jin-Gang Han

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Preprint Oct 2026

Finite-temperature adiabatic-connection reduced density-matrix functional theory: a unified framework for i-DMFT and TAO-DFT

Accurately describing chemical bond breaking requires capturing strong/static electron correlation, a major challenge for single-reference self-consistent-field methods such as Hartree--Fock and Kohn--Sham density-functional theory (DFT). Fractional occupations substantially improve this situation, as demonstrated by i...

Jin-Gang Han, Huan-Jing Gong, K. Luo et al. · 1 citation

Preprint Jul 2026

Iterative minimization in reduced density matrix functional theory for periodic systems

Reduced density matrix functional theory (RDMFT) offers a route beyond Kohn-Sham density functional theory for strongly correlated systems, yet practical calculations for periodic solids are still out of reach. We formulate RDMFT for extended systems in a basis-independent way and present a planewave implementation usi...

Kaiyan Luo, Jin-Gang Han, Pei-Ze Lin et al. · 0 citations