169 citations · 563 across the 14 of their papers we have counts for
4 papers · 1 filter
Orbital-polarization terms: from a phenomenological to a first-principles description of orbital magnetism in density-functional theory
J. M. Morbec, K. Capelle
Phenomenological orbital-polarization (OP) terms have been repeatedly introduced in the single-particle equations of spin-density-functional theory, in order to improve the descrip…
Empirical analysis of the Lieb-Oxford bound in ions and molecules
Mariana M. Odashima, K. Capelle
Universal properties of the Coulomb interaction energy apply to all many-electron systems. Bounds on the exchange-correlation energy, inparticular, are important for the constructi…
Friedel oscillations in one-dimensional metals: from Luttinger's theorem to the Luttinger liquid
Daniel Vieira, Henrique J. P. Freire, V. L. Campo +1
Charge density and magnetization density profiles of one-dimensional metals are investigated by two complementary many-body methods: numerically exact (Lanczos) diagonalization, an…
How tight is the Lieb-Oxford bound?
Mariana M. Odashima, K. Capelle
Density-functional theory requires ever better exchange-correlation (xc) functionals for the ever more precise description of many-body effects on electronic structure. Universal c…