Performance of the coupled cluster singles and doubles method on two-dimensional quantum dots

An implementation of the coupled-cluster single- and double excitations (CCSD) method on two-dimensional quantum dots is presented. Advantages and limitations are studied through comparison with other high accuracy approaches for two to eight confined electrons. The possibility to effectively use a very large basis set is found to be an important advantage compared to full configuration interaction implementations. For the two to eight electron ground states, with a confinement strength close to what is used in experiments, the error in the energy introduced by truncating triple excitations and beyond is shown to be on the same level or less than the differences in energy given by two different Quantum Monte Carlo methods. Convergence of the iterative solution of the coupled cluster equations is, for some cases, found for surprisingly weak confinement strengths even when starting from a non-interacting basis. The limit where the missing triple and higher excitations become relevant is investigated through comparison with full Configuration Interaction results.Comment: 11 pages, 1 figure, 5 table

Statistical Models of Reconstructed Phase Spaces for Signal Classification

This paper introduces a novel approach to the analysis and classification of time series signals using statistical models of reconstructed phase spaces. With sufficient dimension, such reconstructed phase spaces are, with probability one, guaranteed to be topologically equivalent to the state dynamics of the generating system, and, therefore, may contain information that is absent in analysis and classification methods rooted in linear assumptions. Parametric and nonparametric distributions are introduced as statistical representations over the multidimensional reconstructed phase space, with classification accomplished through methods such as Bayes maximum likelihood and artificial neural networks (ANNs). The technique is demonstrated on heart arrhythmia classification and speech recognition. This new approach is shown to be a viable and effective alternative to traditional signal classification approaches, particularly for signals with strong nonlinear characteristics

Relativistic many-body calculation of low-energy dielectronic resonances in Be-like carbon

We apply relativistic configuration-interaction method coupled with many-body perturbation theory (CI+MBPT) to describe low-energy dielectronic recombination. We combine the CI+MBPT approach with the complex rotation method (CRM) and compute the dielectronic recombination spectrum for Li-like carbon recombining into Be-like carbon. We demonstrate the utility and evaluate the accuracy of this newly-developed CI+MBPT+CRM approach by comparing our results with the results of the previous high-precision study of the CIII system [Mannervik et al., Phys. Rev. Lett. 81, 313 (1998)].Comment: 6 pages, 1 figure; v2,v3: fixed reference

Time-Domain Isolated Phoneme Classification Using Reconstructed Phase Spaces

This paper introduces a novel time-domain approach to modeling and classifying speech phoneme waveforms. The approach is based on statistical models of reconstructed phase spaces, which offer significant theoretical benefits as representations that are known to be topologically equivalent to the state dynamics of the underlying production system. The lag and dimension parameters of the reconstruction process for speech are examined in detail, comparing common estimation heuristics for these parameters with corresponding maximum likelihood recognition accuracy over the TIMIT data set. Overall accuracies are compared with a Mel-frequency cepstral baseline system across five different phonetic classes within TIMIT, and a composite classifier using both cepstral and phase space features is developed. Results indicate that although the accuracy of the phase space approach by itself is still currently below that of baseline cepstral methods, a combined approach is capable of increasing speaker independent phoneme accuracy

Resolving all-order method convergence problems for atomic physics applications

The development of the relativistic all-order method where all single, double, and partial triple excitations of the Dirac-Hartree-Fock wave function are included to all orders of perturbation theory led to many important results for study of fundamental symmetries, development of atomic clocks, ultracold atom physics, and others, as well as provided recommended values of many atomic properties critically evaluated for their accuracy for large number of monovalent systems. This approach requires iterative solutions of the linearized coupled-cluster equations leading to convergence issues in some cases where correlation corrections are particularly large or lead to an oscillating pattern. Moreover, these issues also lead to similar problems in the CI+all-order method for many-particle systems. In this work, we have resolved most of the known convergence problems by applying two different convergence stabilizer methods, reduced linear equation (RLE) and direct inversion of iterative subspace (DIIS). Examples are presented for B, Al, Zn$^+$, and Yb$^+$. Solving these convergence problems greatly expands the number of atomic species that can be treated with the all-order methods and is anticipated to facilitate many interesting future applications

A relativistic unitary coupled-cluster study of electric quadrupole moment and magnetic dipole hyperfine constants of ^{199}Hg^{+}

Searching for an accurate optical clock which can serve as a better time standard than the present day atomic clock is highly demanding from several areas of science and technology. Several attempts have been made to built more accurate clocks with different ion species. In this article we discuss the electric quadrupole and hyperfine shifts in the 5d^{9}6s^{2} ^{2}D_{5/2}(F=0,m_{F}=0)\leftrightarrow5d^{10}6s ^{2}S_{1/2}(F=2,m_{F}=0) clock transition in $^{199}Hg^{+}$, one of the most promising candidates for next generation optical clocks. We have applied Fock-space unitary coupled-cluster (FSUCC) theory to study the electric quadrupole moment of the 5d^{9}6s^{2} ^{2}D_{5/2} state and magnetic dipole hyperfine constants of 5d^{9}6s^{2} ^{2}D_{3/2,5/2} and 5d^{10}6s^{1} ^{2}S_{1/2} states respectively of $^{199}Hg^{+}$. We have also compared our results with available data. To the best of our knowledge, this is the first time a variant of coupled-cluster (CC) theories has been applied to study these kinds of properties of $Hg^{+}$and is the most accurate estimate of these quantities to date.Comment: Revtex, 2 EPS figures, To be published in Phys. Rev.

A risk assessment scale for the prediction of pressure sore development: reliability and validity

Background. The ability to assess the risk of a patient developing pressure sores is a major issue in pressure sore prevention. Risk assessment scales should be valid, reliable and easy to use in clinical practice. Aim. To develop further a risk assessment scale, for predicting pressure sore development and, in addition, to present the validity and reliability of this scale. Methods. The risk assessment pressure sore (RAPS) scale, includes 12 variables, five from the re-modified Norton scale, three from the Braden scale and three from other research results. Five hundred and thirty patients without pressure sores on admission were included in the study and assessed over a maximum period of 12 weeks. Internal consistency was examined by item analysis and equivalence by interrater reliability. To estimate equivalence, 10 pairs of nurses assessed a total of 116 patients. The underlying dimensions of the scale were examined by factor analysis. The predictive validity was examined by determination of sensitivity, specificity and predictive value. Results. Two variables were excluded as a result of low item–item and item–total correlations. The average percentage of agreement and the intraclass correlation between raters were 70% and 0·83, respectively. The factor analysis gave three factors, with a total variance explained of 65·1%. Sensitivity, specificity and predictive value were high among patients at medical and infection wards. Conclusions. The RAPS scale is a reliable scale for predicting pressure sore development. The validity is especially good for patients undergoing treatment in medical wards and wards for infectious diseases. This indicates that the RAPS scale may be useful in clinical practice for these groups of patients. For patients undergoing surgical treatment, further analysis will be performed.måsjekke

Robust Linear Models for Cis-eQTL Analysis

Expression Quantitative Trait Loci (eQTL) analysis enables characterisation of functional genetic variation influencing expression levels of individual genes. In outbread populations, including humans, eQTLs are commonly analysed using the conventional linear model, adjusting for relevant covariates, assuming an allelic dosage model and a Gaussian error term. However, gene expression data generally have noise that induces heavy-tailed errors relative to the Gaussian distribution and often include atypical observations, or outliers. Such departures from modelling assumptions can lead to an increased rate of type II errors (false negatives), and to some extent also type I errors (false positives). Careful model checking can reduce the risk of type-I errors but often not type II errors, since it is generally too time-consuming to carefully check all models with a non-significant effect in large-scale and genome-wide studies. Here we propose the application of a robust linear model for eQTL analysis to reduce adverse effects of deviations from the assumption of Gaussian residuals. We present results from a simulation study as well as results from the analysis of real eQTL data sets. Our findings suggest that in many situations robust models have the potential to provide more reliable eQTL results compared to conventional linear models, particularly in respect to reducing type II errors due to non-Gaussian noise. Post-genomic data, such as that generated in genome-wide eQTL studies, are often noisy and frequently contain atypical observations. Robust statistical models have the potential to provide more reliable results and increased statistical power under non-Gaussian conditions. The results presented here suggest that robust models should be considered routinely alongside other commonly used methodologies for eQTL analysis.NonePublishe

Calculation of isotope shifts and relativistic shifts in CI, CII, CIII and CIV

We present an accurate ab initio method of calculating isotope shifts and relativistic shifts in atomic spectra. We test the method on neutral carbon and three carbon ions. The relativistic shift of carbon lines may allow them to be included in analyses of quasar absorption spectra that seek to measure possible variations in the fine structure constant, alpha, over the lifetime of the Universe. Carbon isotope shifts can be used to measure isotope abundances in gas clouds: isotope abundances are potentially an important source of systematic error in the alpha-variation studies. These abundances are also needed to study nuclear reactions in stars and supernovae, and test models of chemical evolution of the Universe