180,601 research outputs found
The Moran model with recombination and the long-term evolutionary experiment with E. coli by R. E. Lensk. Modelling, parameter estimation, and simulation
No full textProbst S. The Moran model with recombination and the long-term evolutionary experiment with E. coli by R. E. Lensk. Modelling, parameter estimation, and simulation. Bielefeld: Universität Bielefeld; 2018
Senizid und Judentum
No full textProbst S. Senizid und Judentum. In: Herwig H, Pousset R, eds. Senizid. Interdisziplinäre Perspektiven. 1st ed. Wiesbaden: Springer VS; 2023
On the performance of molecular polarization methods. I. Water and carbon tetrachloride close to a point charge
No full textThe three main methods to implement molecular polarization (point dipoles, fluctuating charges, and shell model) are tested against high levelab initiocalculations for a molecule (water, carbon tetrachloride) close to a point charge (at the distance of a lithium or magnesium ion). The goal is to check whether an approximation (linear polarization) strictly valid at large intermolecular distances is sufficiently accurate for liquid state molecular dynamics simulations, where strong polarization effects are to be expected at short separations. The monitored observable is the molecular dipole moment as a function of the charge-molecule distance for selected molecular orientations. Analytic formulas are derived for the components of the molecular polarization tensor, facilitating the optimization of the performance for each polarization method as a function of its underlying parameters. Overall, the methods studied provide a remarkably good representation of the induced dipole, with no divergences appearing even at the shortest distances. For water close to a monovalent point charge the point dipole model, implemented with one or three dipoles, accurately reproduces the water dipole moment at all distances. Deficiencies appear as the molecular polarizability and/or charge increase: basically, theab initioinduced moments grow faster at intermediate distances than the linear increase characteristic of the phenomenological polarization methods, suggesting that nonlinear effects (hyperpolarizability) cannot be neglected in these cases. Regarding the capabilities of each method, the point dipole method is the one that performs best overall, with the shell model achieving acceptable results in most instances. The fluctuating charge method shows some noticeable limitations for implementations of comparable complexity (in terms of the number of sites required)
On the performance of molecular polarization methods close to a point charge
No full textThe induced dipole moment of a water molecule close to a point charge (with the radius of Na+ or Be2+) is computed with the three main methods to implement molecular polarization (point dipoles, fluctuating charges and shell model). The results are compared with high level ab initio calculations and studied as a function of the charge-molecule distance for selected molecular orientations. For the single charge case rather good estimations of the ab initio induced dipole are obtained, with no significant divergences appearing at the shortest distances. Nevertheless, these (linear polarization) methods fail as the charge increases, suggesting that nonlinear effects may not be neglected. Regarding the capabilities of each method, the point dipole method is the one that performs better overall, with the shell model achieving acceptable results in most instances. The fluctuating charge method has some noticeable limitations for implementations with a similar number of interaction sites
Polarization damping in halide-water dimers
No full textHigh level ab initio calculations show that the self-induced dipole moment of a halide-water dimer deviates from the usually employed point dipole model, with a substantial nonlinear damping at separations corresponding to the first hydration shell. The total dipole moment is rather similar along the halide series, with the maximum value decreasing as anionic polarizability increases. A new implementation of the Thole damping method satisfactorily reproduces the dipole moment at all separations for the most probable configurations
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
Philosophische Überlegungen zu Hirntod und Organspende
No full textStoecker R. Philosophische Überlegungen zu Hirntod und Organspende. In: Probst SM, ed. Hirntod und Organspende aus interkultureller Sicht. 1st ed. Leipzig: Hentrich & Hentrich Verlag; 2019: 85-101
A Century of Scholarship: University of Arkansas School of Law Faculty Scholarship 1924–2023
No full textSteven R. Probst’s bibliography A Century of Scholarship: University of Arkansas School of Law Faculty Scholarship 1924–2023 marks an important anniversary: the 2024 centennial of the U of A School of Law. To honor this occasion, Probst has assembled, through extensive archival research, the list of publications that U of A law faculty have authored over the course of the school’s hundred-year history. A Century of Scholarship is a testament to the invaluable scholarly contributions of these extraordinary thinkers who have shaped our legal landscape.https://scholarworks.uark.edu/uapressasedit/1003/thumbnail.jp
A Century of Scholarship: University of Arkansas School of Law Faculty Scholarship 1924–2023
No full textSteven R. Probst’s bibliography A Century of Scholarship: University of Arkansas School of Law Faculty Scholarship 1924–2023 marks an important anniversary: the 2024 centennial of the U of A School of Law. To honor this occasion, Probst has assembled, through extensive archival research, the list of publications that U of A law faculty have authored over the course of the school’s hundred-year history. A Century of Scholarship is a testament to the invaluable scholarly contributions of these extraordinary thinkers who have shaped our legal landscape.https://scholarworks.uark.edu/uapressasedit/1003/thumbnail.jp
Fidelity of the near-resonant quantum kicked rotor
No full textWe present a perturbative result for the temporal evolution of the fidelity of the quantum kicked rotor, i.e. the overlap of the same initial state evolved with two slightly different kicking strengths, for kicking periods close to a principal quantum resonance. Based on a pendulum approximation, we describe the fidelity for rotational orbits in the pseudo-classical phase space of a corresponding classical map. Our results are compared to numerical simulations indicating the range of applicability of our analytical approximation
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