A unified framework for functional theories of quantum systems is introduced via scopes of observables and fixed Hamiltonian parts, enabling general proofs of universal functionals, convexity, differentiability, representability, and Hohenberg-Kohn-type uniqueness across variants.
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ALF is a new function derived from the ideal free energy in MDFT that quantifies local angular order of solvent molecules, providing complementary information to polarization and charge density.
Test-particle sum rules optimize parameters in Lutsko FMT to yield improved White-Bear mark II functional for hard-sphere fluids with better accuracy and consistency.