Bureaucrats or Politicians? Political Parties and Antidumping in the US

Antidumping (AD) is the most widely used contingent protection measure. In the United States, key decisions on AD are delegated to the International Trade Commission (ITC), an independent agency composed of six non-elected commissioners. Using a newly collected dataset, I study the determinants of all final ITC votes on AD during the 1980-2010 period. Contrary to the view that ITC commissioners are bureaucrats who simply follow technical rules, I find that their decisions crucially depend on which party has appointed them (the selection effect) and on the trade policy interests of key senators in that party (the pressure effect): whether (Democratic) Republican-appointed commissioners vote in favor of AD depends crucially on whether the petitioning industry is key (in terms of employment) in the states represented by leading (Democratic) Republican senators. JEL: D72, F10, F13, F14, P1

The EU-EFIGE/Bruegel-UniCredit dataset

This paper describes the EU-EFIGE/Bruegel-UniCredit dataset (in short the EFIGE dataset), a database recently collected within the EFIGE project (European Firms in a Global Economy: internal policies for external competitiveness) supported by the Directorate General Research of the European Commission through its 7th Framework Programme and coordinated by Bruegel. The database, for the first time in Europe, combines measures of firms’ international activities (eg exports, outsourcing, FDI, imports) with quantitative and qualitative information on about 150 items ranging from R&D and innovation, labour organisation, financing and organisational activities, and pricing behaviour. Data consists of a representative sample (at the country level for the manufacturing industry) of almost 15,000 surveyed firms (above 10 employees) in seven European economies (Germany, France, Italy, Spain, United Kingdom, Austria, Hungary). Data was collected in 2010, covering the years from 2007 to 2009. Special questions related to the behaviour of firms during the crisis were also included in the survey. We illustrate the construction and usage of the dataset, capitalising on the experience of researchers who have exploited the data within the EFIGE project. Importantly, the document also reports a comprehensive set of validation measures that have been used to assess the comparability of the survey data with official statistics. A set of descriptive statistics describing the EFIGE variables within (and across) countries and industries is also provided

Converging many-body correlation energies by means of sequence extrapolation

We present an extrapolation scheme for the correlation energy in many-body theory that requires only a relatively small fraction of the orbitals spanning the virtual space but recovers nearly the whole dynamic correlation energy, independently of the single-or multi-reference nature of the problem. Applications to both ground-state chemistry and photochemistry are discussed that clearly show how such an extrapolation scheme can be used to overcome the scaling walls in ab initio quantum chemistry arising from the sheer number of molecular orbitals needed for very accurate calculations

Modern quantum chemistry with [Open]Molcas

Artículo escrito por un elevado número de autores, sólo se referencian el que aparece en primer lugar, los autores pertenecientes a la UAM y el nombre del grupo de colaboración, si lo hubiereThe following article appeared in The Journal of Chemical Physics 152.21 (2020): 214117 and may be found at https://doi.org/10.1063/5.0004835MOLCAS/OpenMolcas is an ab initio electronic structure program providing a large set of computational methods from Hartree–Fock and density functional theory to various implementations of multiconfigurational theory. This article provides a comprehensive overview of the main features of the code, specifically reviewing the use of the code in previously reported chemical applications as well as more recent applications including the calculation of magnetic properties from optimized density matrix renormalization group wave functionsF.A. acknowledges financial support from the EU-H2020 research and innovation programme under Grant Agreement No. 654360 within the framework of the NFFA-Europe Transnational Access Activity. Part of this work was performed, thanks to computer resources provided by CINECA, under Project No. HPC-EUROPA3 (Grant No. INFRAIA-2016-1-730897), with the support of the EC Research Innovation Action of the H2020 Programme. D.-C.S. and J.A. acknowledge support from the U.S. Department of Energy, Office of Basic Energy Sciences, Heavy Element Chemistry program, under Grant No. DE-SC0001136. S.B. acknowledges support from the Swiss National Science Foundation (Grant No. P2SKP2_184034). A.B. is grateful for support from ETH Zurich (ETH Fellowship No. FEL-49 18-1). M.R. acknowledges support from the Swiss National Science Foundation (Project No. 200021_182400). L.D.V., L.P.-G., and M.Ol. acknowledge a MIUR (Ministero dell’Istruzione, dell’Università e della Ricerca) grant “Dipartimento di Eccellenza 2018-2022.” M.Ol. acknowledges NSF Grant No. CHE-CLP-1710191. M.D. and M.L. acknowledges support from the Olle Engkvist Foundation. E.D.L. and V.V. acknowledge computational resources provided by SNIC through LUNARC and NSC. T.B.P. acknowledges support from the Research Council of Norway through its Centres of Excellence scheme, Project No. 262695, and through Research Grant No. 240698. K.P. acknowledges financial support from KU Leuven through Grant No. C14/15/052. L.S. acknowledges financial support from Ministerio de Economía y Competitividad, Spain (Dirección General de Investigación y Gestión del Plan Nacional de I+D+i, Grant No. MAT2017-83553- P). J.S.-M. acknowledges support from the EU-H2020 Marie Curie Actions (AttoDNA, FP8-MSCA-IF, Grant No. 747662). I.S. gratefully acknowledges funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (Grant No. 678169 PhotoMutant). L.U. and X.G. gratefully acknowledge scientific Grant Nos. R-143-000-A80- 114 and R-143-000-A65-133 from the National University of Singapore. Computational resources of the NSCC (ASPIRE-1, Grant No. 11001278) were used for this study

Accurate electronic properties and intercalation voltages of olivine-type Li-ion cathode materials from extended Hubbard functionals

The design of novel cathode materials for Li-ion batteries would greatly benefit from accurate first-principles predictions of structural, electronic, and magnetic properties as well as intercalation voltages in compounds containing transition-metal elements. For such systems, density-functional theory (DFT) with standard (semi-)local exchange-correlation functionals is of limited use as it often fails due to strong self-interaction errors that are especially relevant in the partially filled $d$ shells. Here, we perform a detailed comparative study of the phospho-olivine cathode materials Li$_x$MnPO$_4$, Li$_x$FePO$_4$, and the mixed transition metal Li$_x$Mn$_{1/2}$Fe$_{1/2}$PO$_4$ ($x=0, 1/4, 1/2, 3/4, 1$) using four electronic-structure methods: DFT, DFT+$U$, DFT+$U$+$V$, and HSE06. We show that DFT+$U$+$V$, with onsite $U$ and intersite $V$ Hubbard parameters determined from first principles and self-consistently with respect to the structural parameters by means of density-functional perturbation theory (linear response), provides the most accurate description of the electronic structure of these challenging compounds. In particular, we demonstrate that DFT+$U$+$V$ displays very clearly "digital" changes in oxidation states of the transition-metal ions in all compounds, including the mixed-valence phases occurring at intermediate Li concentrations, leading to voltages in remarkable agreement with experiments. We show that the inclusion of intersite Hubbard interactions is essential for the accurate prediction of thermodynamic quantities, balancing the drive for localization induced by the onsite $U$ with intersite $V$ orbital hybridizations

Services in European manufacturing: servinomics explained

Retrieved from: http://bruegel.org/2016/03/services-in-european-manufacturing-servinomics-explained/Making the manufacturing sector more competitive is vital to restore economic growth in Europe. Changing business models to sell services as well as products can provide useful revenue to manufacturers.We thank Andrea Ariu (University of Geneva), IvankaVisjnic (ESADE Business School) and Guntram Wolff for providing comments on early versions of this post. Oscar F. Bustinza and FerranVendrell-Herrero form part of the Horizon 2020- Marie Skłodowska-Curie Actions project called MAKERS: Smart Manufacturing for EU Growth and Prosperity

Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds

We present a derivation of the exact expression for Pulay forces in density-functional theory calculations augmented with extended Hubbard functionals, and arising from the use of orthogonalized atomic orbitals as projectors for the Hubbard manifold. The derivative of the inverse square root of the orbital overlap matrix is obtained as a closed-form solution of the associated Lyapunov (Sylvester) equation. The expression for the resulting contribution to the forces is presented in the framework of ultrasoft pseudopotentials and the projector-augmented-wave method, and using a plane wave basis set. We have benchmarked the present implementation with respect to finite differences of total energies for the case of NiO, finding excellent agreement. Owing to the accuracy of Hubbard-corrected density-functional theory calculations - provided the Hubbard parameters are computed for the manifold under consideration - the present work paves the way for systematic studies of solid-state and molecular transition-metal and rare-earth compounds.Comment: 16 pages, 1 figur