Systematic study of the static electrical properties of the CO molecule: influence of the basis set size and correlation energy

The influence of the basis set size and the correlation energy in the static electrical properties of the CO molecule is assessed. In particular, we have studied both the nuclear relaxation and the vibrational contributions to the static molecular electrical properties, the vibrational Stark effect (VSE) and the vibrational intensity effect (VIE). From a mathematical point of view, when a static and uniform electric field is applied to a molecule, the energy of this system can be expressed in terms of a double power series with respect to the bond length and to the field strength. From the power series expansion of the potential energy, field-dependent expressions for the equilibrium geometry, for the potential energy and for the force constant are obtained. The nuclear relaxation and vibrational contributions to the molecular electrical properties are analyzed in terms of the derivatives of the electronic molecular properties. In general, the results presented show that accurate inclusion of the correlation energy and large basis sets are needed to calculate the molecular electrical properties and their derivatives with respect to either nuclear displacements or/and field strength. With respect to experimental data, the calculated power series coefficients are overestimated by the SCF, CISD, and QCISD methods. On the contrary, perturbation methods (MP2 and MP4) tend to underestimate them. In average and using the 6-311 + G(3df) basis set and for the CO molecule, the nuclear relaxation and the vibrational contributions to the molecular electrical properties amount to 11.7%, 3.3%, and 69.7% of the purely electronic μ, α, and β values, respectively

Linear stochastic differential algebraic equations with constant coefficients

We consider linear stochastic differential-algebraic equations with constant coefficients and additive white noise. Due to the nature of this class of equations, the solution must be defined as a generalised process (in the sense of Dawson and Fernique). We provide sufficient conditions for the law of the variables of the solution process to be absolutely continuous with respect to Lebesgue measure.

Parametric and semiparametric estimation of sample selection models: an empirical application to the female labour force in Portugal

This comment corrects the errors in the estimation process that appear in Martins (2001). The first error is in the parametric probit estimation, as the previously presented results do not maximize the log-likelihood function. In the global maximum more variables become significant. As for the semiparametric estimation method, the kernel function used in Martins (2001) can take on both positive and negative values, which implies that the participation probability estimates may be outside the interval [0,1]. We have solved the problem by applying local smoothing in the kernel estimation, as suggested by Klein and Spady (1993).

Equilibrium play and best response to (Stated) beliefs in constant sum games

We report experimental results on one-shot two person 3x3 constant sum games played by non-economists without previous experience in the laboratory. Although strategically our games are very similar to previous experiments in which game theory predictions fail dramatically, 80% of actions taken in our experiment coincided with the prediction of the unique Nash equilibrium in pure strategies and 73% of actions were best responses to elicited beliefs. We argue how social preferences, presentation effects and belief elicitation procedures may influence how subjects play in simple but non trivial games and explain the diferences we observe with respect to previous work.

Geometria integral i convexitat en espais de curvatura holomorfa constant

En aquest treball es tracten qüestions de la geometria integral clàssica a l'espai hiperbòlic i projectiu complex i a l'espai hermític estàndard, els anomenats espais de curvatura holomorfa constant. La geometria integral clàssica estudia, entre d'altres, l'expressió en termes geomètrics de la mesura de plans que tallen un domini convex fixat de l'espai euclidià. Aquesta expressió es dóna en termes de les integrals de curvatura mitja. Un dels resultats principals d'aquest treball expressa la mesura de plans complexos que tallen un domini fixat a l'espai hiperbòlic complex, en termes del que definim com volums intrínsecs hermítics, que generalitzen les integrals de curvatura mitja. Una altra de les preguntes que tracta la geometria integral clàssica és: donat un domini convex i l'espai de plans, com s'expressa la integral de la s-èssima integral de curvatura mitja del convex intersecció entre un pla i el convex fixat? A l'espai euclidià, a l'espai projectiu i hiperbòlic reals, aquesta integral correspon amb la s-èssima integral de curvatura mitja del convex inicial: se satisfà una propietat de reproductibitat, que no es té en els espais de curvatura holomorfa constant. En el treball donem l'expressió explícita de la integral de la curvatura mitja quan integrem sobre l'espai de plans complexos. L'expressem en termes de la integral de curvatura mitja del domini inicial i de la integral de la curvatura normal en una direcció especial: l'obtinguda en aplicar l'estructura complexa al vector normal. La motivació per estudiar els espais de curvatura holomorfa constant i, en particular, l'espai hiperbòlic complex, es troba en l'estudi del següent problema clàssic en geometria. Quin valor pren el quocient entre l'àrea i el perímetre per a successions de figures convexes del pla que creixen tendint a omplir-lo? Fins ara es coneixia el comportament d'aquest quocient en els espais de curvatura seccional negativa i que a l'espai hiperbòlic real les fites obtingudes són òptimes. Aquí provem que a l'espai hiperbòlic complex, les cotes generals no són òptimes i optimitzem la superior.

The Security Council and the Legitimacy of the Use of Force: Legal, Normative, and Social Aspects.

Tal i com estableix la Carta de les Nacions Unides, el Consell de Seguretat determina l’existència d’una amenaça a la pau, un trencament de la pau o un acte d’agressió i decideix les mesures que han de fer-se servir per restaurar la pau i seguretat internacionals, també l’ús de la força. L’objectiu d’aquest article és explorar la legitimitat d’aquest ús de la força. Amb aquest objectiu, el text parteix d’una definició centrada en les seves dimensions legal, normativa i social. En segon lloc, s’analitzarà com aquestes dimensions estan representades als debats del Consell de Seguretat de la guerra d’Irak de 2003, un dels usos de la força més controvertits i que més debat ha generat als darrers anys. Finalment, l’anàlisi proposat permet treure algunes conclusions sobre les bases canviants de la legitimitat de l’ús de la força.

Primaries the unifying force

We present a formal model of intra-party politics to explain candidate selection within parties. We think of parties as heterogeneous groups of individuals who aim to implement a set of policies but who differ in their priorities. When party heterogeneity is too large, parties are in danger of splitting into smaller yet more homogeneous groups. In this context we argue that primaries can have a unifying role if the party elite cannot commit to policy concessions. Our model shows how alignment in the preferred policies of various factions within a party, the relative weight of each of these factions and the electoral system interact to create incentives for the adoption of primary elections. We discuss the existing empirical literature in the light of our theoretical predictions to provide a new, structured perspective on the adoption of primary elections.

Expectativas del paciente y su correlación con la escala de Constant y el cuestionario de calidad de vida SF-36

El objetivo del estudio es la evaluación subjetiva del hombro a través del análisis de expectativas en el dolor, la funcionalidad, las actividades de la vida diaria y la fuerza que el paciente espera obtener tras el tratamiento de la patología del hombro, y posteriormente, evaluar la correlación de estos datos obtenidos con los resultados en la escala de Constant y en el SF- 36. La hipótesis que nos planteamos fue que las expectativas del paciente son independientes del estado funcional del hombro y de la percepción de la calidad de vida.

Variació segons edat i sexe del component força de l'escala de Constant de valoració de la funció de l’espatlla

Un dels instruments més utilitzats per a mesurar la funció de l’espatlla és el conegut com a Constant Score on una quarta part del valor total de la valoració funcional de l’espatlla correspon a la força d’aquesta regió anatòmica. En el disseny original del Constant Score no es tingueren en compte les possibles variacions dels valors normals de força en funció de l’edat o del sexe. Aquesta variació no ha estat mai correctament establerta. Aquest treball pretén establir l’existència de diferències en la força de l’espatlla entre diferents grups d’edat i entre sexes.

Constant coefficient tests for random coefficient regression

Random coefficient regression models have been applied in differentfields and they constitute a unifying setup for many statisticalproblems. The nonparametric study of this model started with Beranand Hall (1992) and it has become a fruitful framework. In thispaper we propose and study statistics for testing a basic hypothesisconcerning this model: the constancy of coefficients. The asymptoticbehavior of the statistics is investigated and bootstrapapproximations are used in order to determine the critical values ofthe test statistics. A simulation study illustrates the performanceof the proposals.

Constant interest rate projections without the curse of indeterminacy

Constant interest rate (CIR) projections are often criticized on the grounds that they are inconsistent with the existence of a unique equilibrium in a variety of forward-looking models. This note shows howto construct CIR projections that are not subject to that criticism, using a standard New Keynesian model as a reference framework.

Informal care and labour force participation among middle-aged women in Spain

Informal care is today the form of support most commonly used by those who need other peoplein order to carry out certain activities that are considered basic (eating, dressing, taking a shower,etc.), in Spain and in most other countries in the region. The possible labour opportunity costsincurred by these informal carers, the vast majority of whom are middle-aged women, have not asyet been properly quantified in Spain. It is, however, crucially important to know these quantities ata time when public authorities appear to be determined to extend the coverage offered up to nowas regards long-term care.In this context, we use the Spanish subsample of the European Community Household Panel (1994-2001) to estimate a dynamic ordered probit and so attempt to examine the effects of various typesof informal care on labour behaviour. The results obtained indicate the existence of labouropportunity costs for those women who live with the dependent person they care for, but not forthose who care for someone outside the household. Furthermore, whereas caregiving for morethan a year has negative effects on labour force participation, the same cannot be said of those who start caregiving and stop caregiving .

Declining labor force attachment and downward trends in unemployment and participation

The US labor market witnessed two apparently unrelated secular movements in thelast 30 years: a decline in unemployment between the early 1980s and the early 2000s,and a decline in participation since the early 2000s. Using CPS micro data and a stock-flow accounting framework, we show that a substantial, and hitherto unnoticed, factorbehind both trends is a decline in the share of nonparticipants who are at the margin ofparticipation. A lower share of marginal nonparticipants implies a lower unemploymentrate, because marginal nonparticipants enter the labor force mostly through unemployment,while other nonparticipants enter the labor force mostly through employment.