A density functional route to the pair structure of quenched-annealed fluid mixtures is presented. The bulk two-body partial pair correlation functions of the mixture are identified with the one-body density distributions in an external potential that models a fixed test particle. Quenched-annealed (replica) density functional theory is used to calculate the inhomogeneous one-body density distr...

Kohn-Sham density functional theory with the available exchange–correlation functionals is less accurate for strongly correlated systems, which require a multiconfigurational description as zero-order function, than weakly and of spin densities do not accurately predict energies many systems when one uses wave functions symmetry. Furthermore, adding correlation to reference energy can lead doub...

In this paper we explore some of the properties of the comb poset, whose notion was first introduced by J. M. Pallo. We show that three binary functions that are not well-behaved in the Tamari lattice are remarkably well-behaved within an interval of the comb poset: rotation distance, meets and joins, and the common parse words function for a pair of trees. We conclude by giving explicit expres...