5 citations · 11 across the 4 of their papers we have counts for
4 papers
Discontinuities of energy derivatives in spin-density functional theory
Ali M. Malek, Robert Balawender
Standard approximations for the exchange-correlation functional are known to deviate from linear dependence of the energy on the electron and spin numbers (in -space). Violation of…
Thermodynamic extension of density-functional theory. III. Zero-temperature limit of the ensemble spin-density functional theory
Robert Balawender
In this work, the zero-temperature limit of the thermodynamic spin-density functional theory is investigated. The coarse-grained approach to the equilibrium density operator is use…
Thermodynamic extension of density-functional theory. II. Finite-temperature ensemble spin-density functional theory
Robert Balawender, Andrzej Holas
The formalism developed in the first paper of the series [arXiv:0901.1060] is applied to two thermodynamic systems: (i) of three global observables (the energy, the total electron…
Thermodynamic extension of density-functional theory. I. Basic Massieu function, its Legendre and Massieu-Planck transforms for equilibrium state in terms of density matrix
Robert Balawender, Andrzej Holas
A general formulation of the equilibrium state of a many-electron system in terms of a (mixed-state, ensemble) density matrix operator in the Fock space, based on the maximum entro…