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.
A local exchange-correlation potential for the spin polarized case
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A Stoner-inspired preconditioner based on non-interacting susceptibility that neglects orbital variations reduces SCF iterations in magnetic KS-DFT near phase transitions.
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Unified Framework for Functional Theories of Quantum Systems
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.