544 citations · 2.8k across the 45 of their papers we have counts for
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Exact Kohn-Sham eigenstates versus quasiparticles in simple models of strongly correlated electrons
D. J. Carrascal, J. Ferrer
We present analytic expressions for the exact density functional and Kohn-Sham Hamiltonian of simple tight-binding models of correlated electrons. These are the single- and double-…
A Molecular Study of CaCO cluster configurations
Ángeles Fernández-González, Lucas Fernández-Seivane, Manuel Prieto Rubio +1
Equilibrium relationships involving solids are based on bulk thermodynamic properties that concern ideal crystals of infinite size. However, real processes towards equilibrium impl…
Structure and electronic properties of molybdenum monoatomic wires encapsulated in carbon nanotubes
A. García-Fuente, V. M. García-Suárez, J. Ferrer +1
Monoatomic chains of molybdenum encapsulated in single walled carbon nanotubes of different chiralities are investigated using density functional theory. We determine the optimal s…