107,337 research outputs found
Multireference perturbation theory can predict a false ground state
No full textPrediction of a false ground state with popular variants of multireference perturbation theory (CASPT2 and MRMP) is reported for a remarkably simple chemical system: the Sc2 molecule
Impact of multiple modes on the black-hole superradiant instability
No full textUltralight bosonic fields in the mass range of approximately (10-20-10-11) eV can trigger a superradiant instability that extracts energy and angular momentum from an astrophysical black hole with mass M∼(5,1010)M, forming a nonspherical, rotating condensate around it. So far, most studies of the evolution and end state of the instability have been limited to initial data containing only the fastest growing superradiant mode. By studying the evolution of multimode data in a quasiadiabatic approximation, we show that the dynamics is much richer and depends strongly on the energy of the seed, on the relative amplitude between modes, and on the gravitational coupling. If the seed energy is a few percent of the black-hole mass, a black hole surrounded by a mixture of superradiant and nonsuperradiant modes with comparable amplitudes might not undergo a superradiant unstable phase, depending on the value of the boson mass. If the seed energy is smaller, as in the case of an instability triggered by quantum fluctuations, the effect of nonsuperradiant modes is negligible. We discuss the implications of these findings for current constraints on ultralight fields with electromagnetic and gravitational-wave observations
The low-lying states of the scandium dimer
No full textA systematic investigation of low-lying states of Sc2 using multireference perturbation theory (NEVPT2 and NEVPT3) indicates that the ground state of this system is 5Σu− with re = 2.611 Å, ωe = 241.8 cm−1, and De = 1.78 eV. This state is closely followed by other low-lying states of Sc2: 3Σu−, 5Δu, 3Πg, 1Πg, and 1Σu−. Our energy ordering of the 5Σu− and 3Σu− states confirms the recent MRCI results of Kalemos et al. [J. Chem. Phys. 132, 024309 (2010)] and is at variance with the earlier diffusion Monte Carlo predictions of Matxain et al. [J. Chem. Phys. 128, 194315 (2008)] . An excellent agreement between the second- and third-order NEVPT results and between the computed and experimental values of ωe (241.8 versus 238.9 cm−1) for the 5Σu− state suggests high accuracy of our predictions
Towards numerical relativity in scalar Gauss-Bonnet gravity: 3+1 decomposition beyond the small-coupling limit
No full textScalar Gauss-Bonnet gravity is the only theory with quadratic curvature corrections to general relativity whose field equations are of second differential order. This theory allows for nonperturbative dynamical corrections and is therefore one of the most compelling case studies for beyond-general relativity effects in the strong-curvature regime. However, having second-order field equations is not a guarantee for a healthy time evolution in generic configurations. As a first step toward evolving black-hole binaries in this theory, we here derive the 3 + 1 decomposition of the field equations for any (not necessarily small) coupling constant, and we discuss potential challenges of its implementation
Reply to the ‘Comment on “Multiconfigurational perturbation theory can predict a false ground state”’ by J. Soto, F. Avila, J. C. Otero and J. F. Arenas, Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP01917H
No full textThe conclusions of our recent communication [Phys. Chem. Chem. Phys. 2010, 12, 5058] are reaffirmed in the present response to a comment. Popular variants of multireference perturbation theory used in conjunction with the intruder-state removing techniques (aka shift techniques) are capable of predicting a false ground state for seemingly simple chemical systems. © the Owner Societies 2011
Going Beyond Counting First Authors in Author Co-citation Analysis
No full textThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Black holes and binary mergers in scalar Gauss-Bonnet gravity: Scalar field dynamics
No full textWe study the nonlinear dynamics of black holes that carry scalar hair and binaries composed of such black holes. The scalar hair is due to a linear or exponential coupling between the scalar and the Gauss-Bonnet invariant. We work perturbatively in the coupling constant of that interaction but nonperturbatively in the fields. We first consider the dynamical formation of hair for isolated black holes of arbitrary spin and determine the final state. This also allows us to compute for the first time the scalar quasinormal modes of rotating black holes in the presence of this coupling. We then study the evolution of nonspinning black hole binaries with various mass ratios and produce the first scalar waveform for a coalescence. An estimate of the energy loss in scalar radiation and the effect this has on orbital dynamics and the phase of gravitational waves (GWs) (entering at quadratic order in the coupling) shows that GW detections can set the most stringent constraint to date on theories that exhibit a coupling between a scalar field and the Gauss-Bonnet invariant
Appropriate Similarity Measures for Author Cocitation Analysis
No full textWe provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
Dispelling the Myths Behind First-author Citation Counts
No full textWe conducted a full-scale evaluative citation analysis study of scholars in the XML research field to explore just how different from each other author rankings resulting from different citation counting methods actually are, and to demonstrate the capability of emerging data and tools on the Web in supporting more realistic citation counting methods. Our results contest some common arguments for the continued
use of first-author citation counts in the evaluation of scholars, such as high correlations between author rankings by first-author citation counts and other citation
counting methods, and high costs of using more realistic citation counting methods that are not well-supported by the ISI databases. It is argued that increasingly available digital full text research papers make it possible for citation analysis studies to go beyond what the ISI databases have directly supported and to employ more
sophisticated methods
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