Righteous Adam, Sinister Eve

Supplementary Materials (Appendix 1-3) for "Righteous Adam, Sinister Eve", by Sergio Della Sala & Robert D McIntosh

Real-Time Description of the Electronic Dynamics for a Molecule close to a Plasmonic Nanoparticle

The optical properties of molecules close to plasmonic nanostructures greatly differ from their isolated molecule counterparts. To theoretically investigate such systems in a Quantum Chemistry perspective, one has to take into account that the plasmonic nanostructure (e.g., a metal nanoparticle - NP) is often too large to be treated atomistically. Therefore, a multiscale description, where the molecule is treated by an ab initio approach and the metal NP by a lower level description, is needed. Here we present an extension of one such multiscale model [Corni, S.; Tomasi, J. {\it J. Chem. Phys.} {\bf 2001}, {\it 114}, 3739] originally inspired by the Polarizable Continuum Model, to a real-time description of the electronic dynamics of the molecule and of the NP. In particular, we adopt a Time-Dependent Configuration Interaction (TD CI) approach for the molecule, the metal NP is described as a continuous dielectric of complex shape characterized by a Drude-Lorentz dielectric function and the molecule- NP electromagnetic coupling is treated by an equation-of-motion (EOM) extension of the quasi-static Boundary Element Method (BEM). The model includes the effects of both the mutual molecule- NP time-dependent polarization and the modification of the probing electromagnetic field due to the plasmonic resonances of the NP. Finally, such an approach is applied to the investigation of the light absorption of a model chromophore, LiCN, in the presence of a metal NP of complex shape.Comment: This is the final peer-reviewed manuscript accepted for publication of an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes. Link to the original article: http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b1108

A novel automata-theoretic approach to timeline-based planning

Timeline-based planning is a well-established approach successfully employed in a number of application domains. A very restricted fragment, featuring only bounded temporal relations and token durations, is expressive enough to capture action-based temporal planning. As for computational complexity, it has been shown to be EXPSPACE-complete when unbounded temporal relations, but only bounded token durations, are allowed. In this paper, we present a novel automata-theoretic characterisation of timeline-based planning where the existence of a plan is shown to be equivalent to the nonemptiness of the language recognised by a nondeterministic finite-state automaton that suitably encodes all the problem constraints (timelines and synchronisation rules). Besides allowing us to restate known complexity results in a fairly natural and compact way, such an alternative characterisation makes it possible to finally establish the exact complexity of the full version of the problem with unbounded temporal relations and token durations, which was still open and turns out to be EXPSPACE-complete. Moreover, the proposed technique is general enough to cope with (infinite) recurrent goals, which received little attention so far, despite being quite common in real-word application scenarios

Decidability and complexity of the fragments of the modal logic of Allen's relations over the rationals

Interval temporal logics provide a natural framework for temporal reasoning about interval structures over linearly ordered domains, where intervals are taken as first-class citizens. Their expressive power and computational behaviour mainly depend on two parameters: the set of modalities they feature and the linear orders over which they are interpreted. In this paper, we consider all fragments of Halpern and Shoham's interval temporal logic hs with a decidable satisfiability problem over the rationals, and we provide a complete classification of them in terms of their expressiveness and computational complexity by solving the last few open problems

Skill and self-knowledge:Empirical refutation of the dual-burden account of the Dunning-Kruger effect

For many intellectual tasks, the people with the least skill overestimate themselves the most, a pattern popularly known as the Dunning–Kruger effect (DKE). The dominant account of this effect depends on the idea that assessing the quality of one's performance (metacognition) requires the same mental resources as task performance itself (cognition). Unskilled people are said to suffer a dual burden: they lack the cognitive resources to perform well, and this deprives them of metacognitive insight into their failings. In this Registered Report, we applied recently developed methods for the measurement of metacognition to a matrix reasoning task, to test the dual-burden account. Metacognitive sensitivity (information exploited by metacognition) tracked performance closely, so less information was exploited by the metacognitive judgements of poor performers; but metacognitive efficiency (quality of metacognitive processing itself) was unrelated to performance. Metacognitive bias (overall tendency towards high or low confidence) was positively associated with performance, so poor performers were appropriately less confident—not more confident—than good performers. Crucially, these metacognitive factors did not cause the DKE pattern, which was driven overwhelmingly by performance scores. These results refute the dual-burden account and suggest that the classic DKE is a statistical regression artefact that tells us nothing much about metacognition

X-ray monitoring of classical novae in the central region of M31. III. Autumn and winter 2009/10, 2010/11 and 2011/12

[Abridged] Classical novae (CNe) represent the major class of supersoft X-ray sources (SSSs) in the central region of our neighbouring galaxy M31. We performed a dedicated monitoring of the M31 central region, aimed to detect SSS counterparts of CNe, with XMM-Newton and Chandra between Nov and Mar of the years 2009/10, 2010/11 and 2011/12. In total we detected 24 novae in X-rays. Seven of these sources were known from previous observations, including the M31 nova with the longest SSS phase, M31N~1996-08b, which was found to fade below our X-ray detection limit 13.8 yr after outburst. Of the new discoveries several novae exhibit significant variability in their short-term X-ray light curves with one object showing a suspected period of about 1.3 h. We studied the SSS state of the most recent outburst of a recurrent nova which had previously shown the shortest time ever observed between two outbursts (about 5 yr). The total number of M31 novae with X-ray counterpart was increased to 79 and we subjected this extended catalogue to detailed statistical studies. Four previously indicated correlations between optical and X-ray parameters could be confirmed and improved. We found indications that the multi-dimensional parameter space of nova properties might be dominated by a single physical parameter. We discuss evidence for a different X-ray behaviour of novae in the M31 bulge and disk. Exploration of the multi-wavelength parameter space of optical and X-ray measurements is shown to be a powerful tool for examining properties of extragalactic nova populations. While there are hints that the different stellar populations of M31 (bulge vs disk) produce dissimilar nova outbursts, there is also growing evidence that the overall behaviour of an average nova might be understood in surprisingly simple terms.Comment: 39 pages (half of them for 9 tables), 14 figures, accepted for publication in A&A; updated after language editing stag

An Optimal Decision Procedure for MPNL over the Integers

Interval temporal logics provide a natural framework for qualitative and quantitative temporal reason- ing over interval structures, where the truth of formulae is defined over intervals rather than points. In this paper, we study the complexity of the satisfiability problem for Metric Propositional Neigh- borhood Logic (MPNL). MPNL features two modalities to access intervals "to the left" and "to the right" of the current one, respectively, plus an infinite set of length constraints. MPNL, interpreted over the naturals, has been recently shown to be decidable by a doubly exponential procedure. We improve such a result by proving that MPNL is actually EXPSPACE-complete (even when length constraints are encoded in binary), when interpreted over finite structures, the naturals, and the in- tegers, by developing an EXPSPACE decision procedure for MPNL over the integers, which can be easily tailored to finite linear orders and the naturals (EXPSPACE-hardness was already known).Comment: In Proceedings GandALF 2011, arXiv:1106.081