Leal, A., Mateo, D., Pi, M., Barranco, M., & Navarro, J. (2013). The structure of mixed He-3-He-4 droplets doped with OCS: A density functional approach. J. Chem. Phys., 139(17), 174308–6pp.
Abstract: We have investigated the structure and energetics of mixed He-3-He-4 droplets doped with a carbonyl sulfide molecule within a density functional approach considering a small but finite temperature of 0.1 K. The molecule is treated as an external field to which the helium droplet is attached. The energetics and appearance of these droplets are discussed for selected numbers of helium atoms, identifying the first magic numbers of the fermionic component.
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Navarro, J., Ancilotto, F., Barranco, M., & Pi, M. (2011). Toward a Density Functional Description of Liquid pH(2). J. Phys. Chem. A, 115(25), 6910–6917.
Abstract: A finite-temperature density functional approach to describe the properties of parahydrogen in the liquid vapor coexistence region is presented. The first proposed functional is zero-range, where the density-gradient term is adjusted so as to reproduce the surface tension of the liquid vapor interface at low temperature. The second functional is finite-range and, while it is fitted to reproduce bulk pH(2) properties only, it is shown to yield surface properties in good agreement with experiments. These functionals are used to study the surface thickness of the liquid vapor interface, the wetting transition of parahydrogen on a planar Rb model surface, and homogeneous cavitation in bulk liquid pH(2).
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