Tilted-Plane Structure of the Energy of Finite Quantum Systems
The piecewise linearity condition on the total energy with respect to the total magnetization
of finite quantum systems is derived using the infinite-separation-limit technique. This …
of finite quantum systems is derived using the infinite-separation-limit technique. This …
Flat plane based double-counting free and parameter free many-body
AC Burgess, DD O'Regan - Physical Review B, 2024 - APS
The recently introduced BLOR corrective exchange-correlation functional [AC Burgess,
Phys. Rev. B 107, L121115 (2023) 10.1103/PhysRevB. 107. L121115] is, by construction …
Phys. Rev. B 107, L121115 (2023) 10.1103/PhysRevB. 107. L121115] is, by construction …
Geometry of degeneracy in potential and density space
M Penz, R van Leeuwen - Quantum, 2023 - quantum-journal.org
In a previous work [J. Chem. Phys. 155, 244111 (2021)], we found counterexamples to the
fundamental Hohenberg-Kohn theorem from density-functional theory in finite-lattice …
fundamental Hohenberg-Kohn theorem from density-functional theory in finite-lattice …