Can model Hamiltonians describe the electron–electron interaction in π-conjugated systems?: PAH and graphene

Model Hamiltonians have been, and still are, a valuable tool for investigating the electronic structure of systems for which mean field theories work poorly. This review will concentrate on the application of Pariser–Parr–Pople (PPP) and Hubbard Hamiltonians to investigate some relevant properties of polycyclic aromatic hydrocarbons (PAH) and graphene. When presenting these two Hamiltonians we will resort to second quantisation which, although not the way chosen in its original proposal of the former, is much clearer. We will not attempt to be comprehensive, but rather our objective will be to try to provide the reader with information on what kinds of problems they will encounter and what tools they will need to solve them. One of the key issues concerning model Hamiltonians that will be treated in detail is the choice of model parameters. Although model Hamiltonians reduce the complexity of the original Hamiltonian, they cannot be solved in most cases exactly. So, we shall first consider the Hartree–Fock approximation, still the only tool for handling large systems, besides density functional theory (DFT) approaches. We proceed by discussing to what extent one may exactly solve model Hamiltonians and the Lanczos approach. We shall describe the configuration interaction (CI) method, a common technology in quantum chemistry but one rarely used to solve model Hamiltonians. In particular, we propose a variant of the Lanczos method, inspired by CI, that has the novelty of using as the seed of the Lanczos process a mean field (Hartree–Fock) determinant (the method will be named LCI). Two questions of interest related to model Hamiltonians will be discussed: (i) when including long-range interactions, how crucial is including in the Hamiltonian the electronic charge that compensates ion charges? (ii) Is it possible to reduce a Hamiltonian incorporating Coulomb interactions (PPP) to an 'effective' Hamiltonian including only on-site interactions (Hubbard)? The performance of CI will be checked on small molecules. The electronic structure of azulene and fused azulene will be used to illustrate several aspects of the method. As regards graphene, several questions will be considered: (i) paramagnetic versus antiferromagnetic solutions, (ii) forbidden gap versus dot size, (iii) graphene nano-ribbons, and (iv) optical properties.

Export and import market-specific characteristics. How they drive the decision to trade and how much

Using a rich firm-level dataset on the Italian manufacturing industry, this paper provides a comprehensive analysis of the role that firms and market characteristics play in shaping firms’ trade activities. We enhance the previous analyses by considering firms’ engagement in international transactions, by focusing on either exports or imports. We show that the determinants of a firm’s export participation and value across countries also drive import behavior. Our research is consistent with the presence of country-specific sunk costs and with a qualitatively similar role of gravity forces and other country attributes on both sides of trading activities. Our evidence, however, militates in favor of a framework where variations in market characteristics have a larger impact on imports than exports.

Los movimientos sociales en las agendas mediática y política en España: el caso de la PAH

El presente trabajo analiza la presencia de la Plataforma de Afectados por la Hipoteca, de sus acciones y reivindicaciones en la agenda mediática y en la agenda política en España en el año 2014. Tras describir el papel de la plataforma como movimiento social en nuestro país, trata, en primer lugar, de analizar la cobertura que los tres principales medios impresos (El País, El Mundo y ABC) han hecho del mismo a lo largo del año, desde la perspectiva del Framing o Teoría del Enfoque, observando el tratamiento valorativo que realizan los tres diarios de la plataforma. Por otro lado, se lleva a cabo un análisis de la agenda política, en cuanto a las menciones a la PAH y a sus acciones en el debate parlamentario en el Congreso de los Diputados, diferenciando la pertenencia a la agenda simbólica y sustancial. Los datos muestran, por un lado, un tratamiento diverso del movimiento social por parte de los tres medios, que se correspondería con el diferente posicionamiento ideológico de cada periódico. Por otro, las formaciones políticas presentes en el hemiciclo incluyen de manera cuantitativamente distinta a la PAH en sus discursos –siendo Izquierda Plural el grupo que más menciones ha realizado– y la mayoría de éstos pertenece a la agenda simbólica. La distribución temporal de las dos agendas no muestra una influencia clara entre ambas.