Ab-Initio Calculation of the Metal-Insulator Transition in Sodium rings and chains and in mixed Sodium-Lithium systems

We study how the Mott metal-insulator transition (MIT) is influenced when we deal with electrons with different angular momenta. For lithium we found an essential effect when we include $p$-orbitals in the description of the Hilbert space. We apply quantum-chemical methods to sodium rings and chains in order to investigate the analogue of a MIT, and how it is influenced by periodic and open boundaries. By changing the interatomic distance we analyse the character of the many-body wavefunction and the charge gap. In the second part we mimic a behaviour found in the ionic Hubbard model, where a transition from a band to a Mott insulator occurs. For that purpose we perform calculations for mixed sodium-lithium rings. In addition, we examine the question of bond alternation for the pure sodium system and the mixed sodium-lithium system, in order to determine under which conditions a Peierls distortion occurs.Comment: 8 pages, 7 figures, accepted Eur. J. Phys.

Influence of electron correlations on ground-state properties of III-V semiconductors

Lattice constants and bulk moduli of eleven cubic III-V semiconductors are calculated using an ab initio scheme. Correlation contributions of the valence electrons, in particular, are determined using increments for localized bonds and for pairs and triples of such bonds; individual increments, in turn, are evaluated using the coupled cluster approach with single and double excitations. Core-valence correlation is taken into account by means of a core polarization potential. Combining the results at the correlated level with corresponding Hartree-Fock data, we obtain lattice constants which agree with experiment within an average error of -0.2%; bulk moduli are accurate to +4%. We discuss in detail the influence of the various correlation contributions on lattice constants and bulk moduli.Comment: 4 pages, Latex, no figures, Phys. Rev. B, accepte

Correlation effects in ionic crystals: I. The cohesive energy of MgO

High-level quantum-chemical calculations, using the coupled-cluster approach and extended one-particle basis sets, have been performed for (Mg2+)n (O2-)m clusters embedded in a Madelung potential. The results of these calculations are used for setting up an incremental expansion for the correlation energy of bulk MgO. This way, 96% of the experimental cohesive energy of the MgO crystal is recovered. It is shown that only 60% of the correlation contribution to the cohesive energy is of intra-ionic origin, the remaining part being caused by van der Waals-like inter-ionic excitations.Comment: LaTeX, 20 pages, no figure

Características biológicas de cepas de Herpesvirus bovino 1 y 5 utilizando el modelo experimental conejo

Los Herpesvirus bovinos (BoHV) pueden infectar tanto a mustélidos como a conejos y esta última especie ha sido utilizada como modelo de laboratorio para la infección por BoHV-1 y 5. El objetivo de este trabajo fue estudiar la patogenicidad de diferentes cepas argentinas de BoHV-1 y BoHV-5 utilizando el modelo experimental conejo. Se utilizaron conejos de raza neozelandesa que se inocularon por vía intranasal e intravaginal. Los animales inoculados por vía intranasal con cepas de BoHV-5 desarrollaron signos nerviosos en el 83% de los casos, mientras que BoHV-1.1 causó signos nerviosos en el 57% de los animales y BoHV-1.2 no provocó signos clínicos evidentes. El BoHV-5 causó síntomas nerviosos solo en los animales jóvenes mientras que BoHV-1 solo lo hizo ocasionalmente y también en individuos jóvenes. Los conejos inoculados por vía intravaginal no mostraron signos clínicos ni lesiones aparentes en los órganos estudiados; la infección se demostró por seroconversión serológica. El conejo resultó adecuado para estudiar la sintomatología y las lesiones producidas en los distintos órganos, fundamentalmente en el sistema nervioso central. El modelo resultó de utilidad por ser económico, de muy fácil manejo y permitió reconocer diferencias en el comportamiento biológico de las cepas de BoHV-1 y BoHV-5 estudiadas.Bovine Herpesvirus (BoHV) can infect both rabbits and mustelids. Rabbit has been used as a laboratory model for infection with BoHV-1 and 5. The objective of this research was to study the pathogenicity of different Argentinian BoHV-1 and BoHV-5 strains by using the rabbit experimental model. New Zealand rabbits were inoculated by intranasal and intravaginal ways. The animals inoculated intranasally with strains of BoHV-5 developed neurological signs in 83% of the cases. BoHV-1.1 caused neurological signs in 57% of the animals and BoHV-1.2 did not cause clear clinical signs. BoHV-5 caused nervous signs in young animals while BoHV-1 did so occasionally in young rabbits. Animales inoculated intravaginally showed no apparent clinical signs or apparent lesions in the studied organs. The infection was demonstrated by serological seroconversion. The rabbit was appropriate to study the clinical signs and the lesions produced in the different organs, primarily in the central nervous system. The model was useful for being inexpensive and very easy to use, and it enabled to identify differences in the biological behavior of the studied BoHV-1 and BoHV-5 strains

Ecohydrology and ecosystem services of a natural and an artificial bofedal wetland in the central Andes

High-altitude wetlands of the Central Andes, locally known as bofedales, provide important ecosystem services, particularly carbon storage, forage provisioning, and water regulation. Local communities have artificially expanded bofedales by irrigating surrounding grasslands to maximise areas for alpaca grazing. Despite their importance, biophysical processes of both natural and artificial bofedales are still poorly studied, which hinders the development of adequate management and conservation strategies. We analyse and compare the vegetation composition, hydrological variables, groundwater chemistry, and soil characteristics of a natural and an artificial bofedal of at least 10 years old in southern Peru, to understand their interrelations and the consequences for ecosystem service provisioning. We do not find statistically significant differences in the soil, water, and vegetation characteristics. Soil organic carbon (SOC) content, which we use as a proxy for carbon storage, is negatively correlated to dissolved oxygen, pH, and soil water temperature. In addition, Non-Metric Multidimensional Scaling analysis shows a positive relation between plant community composition, SOC content, and water electric conductivity. Our results suggest a three-way interaction between hydrological, soil, and vegetation characteristics in the natural bofedal, which also holds for the artificial bofedal. Vegetation cover of two of the most highly nutritious species for alpaca, Lachemilla diplophylla and Lilaeopsis macloviana with 19-22% of crude protein, are weakly or not correlated to environmental variables, suggesting grazing might be obscuring these potential relationships. Given the high economic importance of alpaca breeding for local communities, expanding bofedales artificially appears an effective strategy to enhance their ecosystem services with minimal impact on the ecohydrological properties of bofedales