Search results for " clusters"

Advanced Indexing Schema for Imaging Applications: Three-Case Studies

2007

Bayesian versus data driven model selection for microarray data

2014

Clustering is one of the most well known activities in scientific investigation and the object of research in many disciplines, ranging from Statistics to Computer Science. In this beautiful area, one of the most difficult challenges is a particular instance of the model selection problem, i.e., the identification of the correct number of clusters in a dataset. In what follows, for ease of reference, we refer to that instance still as model selection. It is an important part of any statistical analysis. The techniques used for solving it are mainly either Bayesian or data-driven, and are both based on internal knowledge. That is, they use information obtained by processing the input data. A…

Ultrafast dynamics of halogens in rare gas solids

2007

We perform time resolved pump-probe spectroscopy on small halogen molecules ClF, Cl2, Br2, and I2 embedded in rare gas solids (RGS). We find that dissociation, angular depolarization, and the decoherence of the molecule is strongly influenced by the cage structure. The well ordered crystalline environment facilitates the modelling of the experimental angular distribution of the molecular axis after the collision with the rare gas cage. The observation of many subsequent vibrational wave packet oscillations allows the construction of anharmonic potentials and indicate a long vibrational coherence time. We control the vibrational wave packet revivals, thereby gaining information about the vib…

Mass-asymmetric fission in the 40ca+142Nd reaction

2016

Shell effects play a major role in fission. Mass-asymmetric fission observed in the spontaneous and low energy fission of actinide nuclei was explained by incorporating the fragment shell properties in liquid drop model. Asymmetric fission has also been observed in the low energy fission of neutron-deficient 180 Hg nuclei in recent β -delayed fission experiments. This low-energy β -delayed fission has been explained in terms of strong shell effects in pre-scission configurations associated with the system after capture. Calculations predicted asymmetric fission for heavier Hg isotopes as well, at compound nuclear excitation energy as high as 40 MeV. To explore the evolution of fission fragm…

Multicollision-induced dissociation of multiply charged gold clusters, Aun2+, n = 7–35, and Aun3+, n = 19–35

2000

Abstract Multicollision-induced dissociation (MCID) has been applied to gold clusters, Au n 2+ (n = 7–35) and Au n 3+ (n = 19–35) stored in a Penning trap. By application of ion cyclotron resonance excitation and pulses of argon collision gas, fragmentation yields have been measured as a function of the clusters’ kinetic energy. The corresponding dissociation energies have been determined by use of the impulsive collision theory and the quantum Rice–Ramsperger–Kassel (RRK) model for the energy transfer to internal cluster modes and for delayed dissociation, respectively. As compared to earlier measurements of singly charged gold clusters the variation of the stability as a function of clust…

A Theoretical Determination of the Low-lying Electronic States of the p-Benzosemiquinone Radical Anion

2000

The low-lying electronic states of the p-benzosemiquinone radical anion are studied using multiconfigurational second-order perturbation theory (CASPT2) and extended atomic natural orbital (ANO) ba...

Theoretical studies of isomers of C 3 H 2 using a multiconfigurational approach

2000

The C3H2 isomers are important molecules in interstellar space. An understanding of their electronic structure can contribute significantly to the interpretation of interstellar spectra. In a theoretical study of the C3H2 isomers a multiconfigurational treatment is of interest because many of the isomers are carbenes or diradicals. We present such an investigation of all possible C3H2 isomers. The most important features of their electronic and vibrational spectra are calculated. Earlier theoretical studies are reviewed and it is shown that the present study yields the same order of stability for the singlet and triplet states as most previous studies.

Clustering categorical data: A stability analysis framework

2011

Clustering to identify inherent structure is an important first step in data exploration. The k-means algorithm is a popular choice, but K-means is not generally appropriate for categorical data. A specific extension of k-means for categorical data is the k-modes algorithm. Both of these partition clustering methods are sensitive to the initialization of prototypes, which creates the difficulty of selecting the best solution for a given problem. In addition, selecting the number of clusters can be an issue. Further, the k-modes method is especially prone to instability when presented with ‘noisy’ data, since the calculation of the mode lacks the smoothing effect inherent in the calculation …

Thermal Expansion in Small Metal Clusters and its Impact on the Electric Polarizability

2000

The thermal expansion coefficients of $\mathrm{Na}_{N}$ clusters with $8 \le N \le 40$ and $\mathrm{Al}_{7}$, $\mathrm{Al}_{13}^-$ and $\mathrm{Al}_{14}^-$ are obtained from {\it ab initio} Born-Oppenheimer LDA molecular dynamics. Thermal expansion of small metal clusters is considerably larger than that in the bulk and size-dependent. We demonstrate that the average static electric dipole polarizability of Na clusters depends linearly on the mean interatomic distance and only to a minor extent on the detailed ionic configuration when the overall shape of the electron density is enforced by electronic shell effects. The polarizability is thus a sensitive indicator for thermal expansion. We …

Faster chiral versus collinear magnetic order recovery after optical excitation revealed by femtosecond XUV scattering

2020

While chiral spin structures stabilized by Dzyaloshinskii-Moriya interaction (DMI) are candidates as novel information carriers, their dynamics on the fs-ps timescale is little known. Since with the bulk Heisenberg exchange and the interfacial DMI two distinct exchange mechanisms are at play, the ultra-fast dynamics of the chiral order needs to be ascertained and compared to the dynamics of the conventional collinear order. Using an XUV free-electron laser we determine the fs-ps temporal evolution of the chiral order in domain walls in a magnetic thin film sample by an IR pump - X-ray magnetic scattering probe experiment. Upon demagnetisation we observe that the dichroic (CL-CR) signal conn…