Central Connecticut State University

The major source of errror in most ab initio calculations of molecular energies is the truncation of the one-electron basis set. A complete basis set model chemistry is defined to include corrections for basis set truncation errors. This model uses double zeta plus polarization level atomic pair natural orbital basis sets to calculate molecular self-consistent-field (SCF) energies and correlation energies. The small corrections to give the complete basis set SCF energies are then estimated using the l−6 asymptotic convergence of the multicenter angular momentum expansion. The calculated correlation energies of the atoms He, Be, and Ne, and of the hydrides LiH, BH3, CH4, NH3, H2O, and HF, using the double zeta plus polarization basis sets vary from 83.0% to 91.2% of the experimental correlation energies. However, extrapolation of each of the pair energies and pair-coupling terms to the complete basis set values using the asymptotic convergence of pair natural orbital expansions retrieves from 99.5±0.7% to 101.1±0.6% of the experimental correlation energies for these atoms and molecules. With the exception of ammonia which gave 101.1%, the calculated correlation energies agree with the experimental values to within the error limits of the experiments for all these atoms and molecules with more than four electrons. The total extrapolated energies (ESCF+ECorrelation) are then in agreement with experiment to within ±0.0014 hartree (root mean square deviation) and represent the most accurate total energy calculations yet reported for the molecules. The largest discrepancies with experiment occur for methane, where we obtain ETotal =−40.5112 hartree compared to EExpt =−40.514±0.002 hartree, and ammonia, where we obtain ETotal =−56.5659 hartree compared to EExpt =−56.563±0.002 hartree.

The authors surveyed exploratory factor analysis (EFA) practices in three organizational journals from 1985 to 1999 to investigate purposes for conducting EFA and to update and extend Ford, MacCallum, and Tait’s (1986) review. Ford et al. surveyed the same journals from 1975 to 1984, concluding that researchers often applied EFA poorly (e.g., relying too heavily on principal components analysis [PCA], eigenvalues greater than 1 to choose the number of factors, and orthogonal rotations). Fabrigar, Wegener, MacCallum, and Strahan (1999) reached a similar conclusion based on a much smaller sample of studies. This review of 371 studies shows reason for greater optimism. The tendency to use multiple number-of-factors criteria and oblique rotations has increased somewhat. Most important, the authors find that researchers tend to make better decisions when EFA plays a more consequential role in the research. They stress the importance of careful and thoughtful analysis, including decisions about whether and how EFA should be used.

Chapter 9 presents support vector regression (SVR), a relatively newer supervised learning algorithm for predictive regression modeling, which – like random forests for regression – also may outperform the least-squares-based methods. Discussed is ε-insensitive loss used by SVR, the ε-tube concept, as well as algorithms for linear and nonlinear SVRs.

UNLABELLED: The vertical jump-and-reach score is used as a component in the estimation of peak mechanical power in two equations put forth by Lewis and Harman et al. PURPOSE: The purpose of the present study was to: 1) cross-validate the two equations using the vertical jump-and-reach test, 2) develop a more accurate equation from a large heterogeneous population, 3) analyze gender differences and jump protocols, and 4) assess Predicted Residual Sum of Squares (PRESS) as a cross-validation procedure. METHODS: One hundred eight college-age male and female athletes and nonathletes were tested on a force platform. They performed three maximal effort vertical jumps each of the squat jump (SJ) and countermovement jump (CMJ) while simultaneously performing the vertical jump-and-reach test. Regression analysis was used to predict peak power from body mass and vertical jump height. RESULTS: SJ data yielded a better power prediction equation than did CMJ data because of the greater variability in CMJ technique. The following equation was derived from SJ data: Peak Power (W) = 60.7x (jump height cm]) +45.3x(body mass [kg])-2055. This equation revealed greater accuracy than either the Lewis or previous Harman et al. equations and underestimated peak power by less than 1%, with a SEE of 355.0 W using SJ protocol. The use of one equation for both males and females resulted in only a slight (5% of power output) difference between genders. Using CMJ data in the SJ-derived equation resulted in only a 2.7% overestimation of peak power. Cross-validation of regression equations using PRESS reveals accurate and reliable R2 and SEE values. CONCLUSIONS: The SJ equation is a slightly more accurate equation than that derived from CMJ data. This equation should be used in the determination of peak power in place of the formulas developed by both Harman et al. and Lewis. Separate equations for males and females are unnecessary.

This paper provides insight into identifying areas that help or hinder business-IT alignment. Alignment focuses on the activities that management performs to achieve cohesive goals across the organization. The aim of this paper is to determine the most important enablers and inhibitors to alignment. The paper presents and analyzes the results of a multi-year study of strategic alignment. Data were obtained from business and information technology executives of over 800 firms representing 15 industries who attended classes addressing alignment at IBM's Advanced Business Institute. The executives were asked to describe those activities that assist in achieving alignment and those which seem to hinder it. These enablers and inhibitors to alignment were then analyzed with respect to industry, to time, and executive position. The results indicate that certain activities can assist in the achievement of this state of alignment while others are clearly barriers. Achieving alignment is evolutionary and dynamic. It requires strong support from senior management, good working relationships, strong leadership, appropriate prioritization, trust, and effective communication, as well as a thorough understanding of the business environment. Achieving alignment demands focusing on maximizing the enablers and minimizing the inhibitors. The data show these factors to be constant over time and to be nearly identical for business executives and for IT executives. Furthermore, the data validate published anecdotal descriptions of enablers and inhibitors.

Service learning places teaching and learning in a social context, facilitating socially responsive knowledge. The purposes of this meta-analysis were to summarize evidence on (a) extent and types of change in participants in service learning programs, (b) specific program elements (moderators) that affect the amount of change in participants, and (c) generalizability of results across educational levels and curricular versus noncurricular service. We included 103 samples and found positive changes for all types of outcomes. Changes were moderate for academic outcomes, small for personal outcomes and citizenship outcomes, and in between for social outcomes. Programs with structured reflection showed larger changes and effects generalized across educational levels. We call for psychologists to increase their use of service learning, and we discuss resources for doing so.

Though the marketing literature offers an abundance of research on the topics of perceived risk, information search, and purchase intentions, very few researchers have empirically examined these constructs in the context of services. This research explores the linkages among these three constructs when services are classified on the basis of search, experience, and credence attributes. Specific hypotheses are developed and tested. The results of this study indicate that perceived risk increases along a continuum from search to experience to credence service purchases. Other hypotheses relating to information search length, information sources, behavioral intentions, and service attributes, received moderate support. Finally, managerial implications of the study were provided, along with directions for future research.

Research evidence regarding the relative effects of instructional leadership and distributed leadership on teacher job satisfaction and self-efficacy is limited; it is even less evidential when the indirect effects of mediation variables between school leadership and teacher outcomes, including supportive school culture and teacher collaboration, are added to the total effects. In this study, the six aforementioned variables are added to one model focusing on both the direct effects instructional and distributed leadership have on teacher job satisfaction and self-efficacy, and the indirect effects through the mediation variables of supportive school culture and teacher collaboration. Using the 2013 Teaching and Learning International Survey data, this research applied a rigorous structural equation model (SEM)with the design-based approach using the balanced repeated replication (BRR) weights. The results suggest that distributed leadership and instructional leadership are both positively and directly associated with teacher job satisfaction and teacher self-efficacy, respectively. Meanwhile, distributed leadership is positively and indirectly associated with both teacher job satisfaction and self-efficacy, while instructional leadership is indirectly associated with teacher job satisfaction through the mediation effects of supportive school culture and teacher collaboration.

OBJECTIVE: This study examined whether social support and beliefs about mental health care are associated with stigma, barriers to care, and mental health care utilization in a sample of veterans of Operation Enduring Freedom in Afghanistan and Operation Iraqi Freedom (OEF-OIF). METHODS: A sample of 272 predominantly reservist and National Guard OEF-OIF veterans in Connecticut completed a needs assessment survey. RESULTS: Negative beliefs about mental health care, particularly psychotherapy, and decreased perceived unit support predicted increased perceptions of stigma and barriers to care. Negative beliefs about mental health care were also associated with decreased likelihood of mental health counseling and medication visits in the past six months, even after adjustment for demographic characteristics, psychiatric disorders, and support variables. CONCLUSIONS: Educational interventions for modifying negative beliefs about mental health care and bolstering unit support may help decrease stigma and barriers to care and increase mental health treatment seeking among OEF-OIF veterans.

The purpose of this study was to extend previous research on the contextual nd task performance distinction to managerial jobs. It was hypothesized that, unlike results for nonmanagerial work, the job dedication facet of contextual performance would contribute uniquely to overall managerial performance. The interpersonal facilitation facet of contextual performance was expected to be redundant with leadership task performance and therefore not to make a unique contribution. A multitrait-multirater correlation matrix was developed on the basis of meta-analysis. Structural equation modeling results generally supported the hypotheses, although there was some evidence of a unique contribution by interpersonal facilitation. Results also suggested that peers paid more attention to interpersonal facilitation when making overall performance ratings, whereas supervisors paid more attention to task performance.

Region 2 comprises arctic and subarctic North America and is underlain by continuous or discontinuous permafrost. Its freshwater systems are dominated by a low energy environment and cold region processes. Central northern areas are almost totally influenced by arctic air masses while Pacific air becomes more prominent in the west, Atlantic air in the east and southern air masses at the lower latitudes. Air mass changes will play an important role in precipitation changes associated with climate warming. The snow season in the region is prolonged resulting in long-term storage of water so that the spring flood is often the major hydrological event of the year, even though, annual rainfall usually exceeds annual snowfall. The unique character of ponds and lakes is a result of the long frozen period, which affects nutrient status and gas exchange during the cold season and during thaw. GCM models are in close agreement for this region and predict temperature increases as large as 4°C in summer and 9°C in winter for a 2 × CO2 scenario. Palaeoclimate indicators support the probability that substantial temperature increases have occurred previously during the Holocene. The historical record indicates a temperature increase of > 1°C in parts of the region during the last century. GCM predictions of precipitation change indicate an increase, but there is little agreement amongst the various models on regional disposition or magnitude. Precipitation change is as important as temperature change in determining the water balance. The water balance is critical to every aspect of hydrology and limnology in the far north. Permafrost close to the surface plays a major role in freshwater systems because it often maintains lakes and wetlands above an impermeable frost table, which limits the water storage capabilities of the subsurface. Thawing associated with climate change would, particularly in areas of massive ice, stimulate landscape changes, which can affect every aspect of the environment. The normal spring flooding of ice-jammed north-flowing rivers, such as the Mackenzie, is a major event, which renews the water supply of lakes in delta regions and which determines the availability of habitat for aquatic organisms. Climate warming or river damming and diversion would probably lead to the complete drying of many delta lakes. Climate warming would also change the characteristics of ponds that presently freeze to the bottom and result in fundamental changes in their limnological characteristics. At present, the food chain is rather simple usually culminating in lake trout or arctic char. A lengthening of the growing season and warmer water temperature would affect the chemical, mineral and nutrient status of lakes and most likely have deleterious effects on the food chain. Peatlands are extensive in region 2. They would move northwards at their southern boundaries, and, with sustained drying, many would change form or become inactive. Extensive wetlands and peatlands are an important component of the global carbon budget, and warmer and drier conditions would most likely change them from a sink to a source for atmospheric carbon. There is some evidence that this may be occurring already. Region 2 is very vulnerable to global warming. Its freshwater systems are probably the least studied and most poorly understood in North America. There are clear needs to improve our current knowledge of temperature and precipitation patterns; to model the thermal behaviour of wetlands, lakes and rivers; to understand better the interrelationships of cold region rivers with their basins; to begin studies on the very large lakes in the region; to obtain a firm grasp of the role of northern peatlands in the global carbon cycle; and to link the terrestrial water balance to the thermal and hydrological regime of the polar sea. Overall, there is a strong need for basic research and long-term monitoring. © 1997 John Wiley & Sons, Ltd.

BACKGROUND: A number of studies have examined the prevalence and correlates of posttraumatic stress disorder (PTSD), depression, and related psychiatric conditions in soldiers returning from Operations Enduring Freedom and Iraqi Freedom (OEF/OIF), but none have examined whether factors such as psychological resilience and social support may protect against these conditions in this population. METHODS: A total of 272 predominantly older reserve/National Guard OEF/OIF veterans completed a mail survey assessing traumatic stress and depressive symptoms, resilience, and social support. RESULTS: Resilience scores in the full sample were comparable to those observed in civilian outpatient primary-care patients. Respondents with PTSD, however, scored significantly lower on this measure and on measures of unit support and postdeployment social support. A hierarchical regression analysis in the full sample suggested that resilience (specifically, increased personal control and positive acceptance of change) and postdeployment social support were negatively associated with traumatic stress and depressive symptoms, even after adjusting for demographic characteristics and combat exposure. CONCLUSIONS: These results suggest that interventions to bolster psychological resilience and postdeployment social support may help reduce the severity of traumatic stress and depressive symptoms in OEF/OIF veterans.

Abstract I use a sample of socially responsible stock mutual funds matched to randomly selected conventional funds of similar net assets to investigate differences in characteristics of assets held, portfolio diversification, and variable effects of diversification on investment performance. I find that socially responsible funds do not differ significantly from conventional funds in terms of any of these attributes. Moreover, the effect of diversification on investment performance is not different between the two groups. Both groups underperform the Domini 400 Social Index and S&P 500 during the study period.

Abstract Hybrid quantum-classical algorithms provide ways to use noisy intermediate-scale quantum computers for practical applications. Expanding the portfolio of such techniques, we propose a quantum circuit learning algorithm that can be used to assist the characterization of quantum devices and to train shallow circuits for generative tasks. The procedure leverages quantum hardware capabilities to its fullest extent by using native gates and their qubit connectivity. We demonstrate that our approach can learn an optimal preparation of the Greenberger-Horne-Zeilinger states, also known as “cat states”. We further demonstrate that our approach can efficiently prepare approximate representations of coherent thermal states, wave functions that encode Boltzmann probabilities in their amplitudes. Finally, complementing proposals to characterize the power or usefulness of near-term quantum devices, such as IBM’s quantum volume, we provide a new hardware-independent metric called the qBAS score. It is based on the performance yield in a specific sampling task on one of the canonical machine learning data sets known as Bars and Stripes. We show how entanglement is a key ingredient in encoding the patterns of this data set; an ideal benchmark for testing hardware starting at four qubits and up. We provide experimental results and evaluation of this metric to probe the trade off between several architectural circuit designs and circuit depths on an ion-trap quantum computer.

Purpose: This article explores distributed leadership as it relates to two teacher teams in one public secondary school. Both situational and social aspects of distributed leadership are foci of investigation. Methods: The qualitative study used constant comparative analysis and discourse analysis to explore leadership as a distributed phenomenon. Data from field notes and video recordings of two teacher teams during one semester were used. Findings: Three constructs emerged that informed our understanding of collaborative interaction within each professional learning team: purpose, autonomy, and patterns of discourse. Purpose and autonomy, manifest as organizational conditions, largely shape patterns of discourse that characterize the interaction of the team members. We argue that the nature of purpose and autonomy within a teacher team can influence the social distribution of leadership. Conclusions: The nature of teams in shared governance structures—the fact that teams can organize to either find or solve problems—has important implications for the creative and leadership capacity of individual teams. Thus, structures and social dynamics of distributed leadership must be attended to and not taken for granted. Implications include (a) conceptualizing leadership in terms of interaction, (b) needing to help teachers become aware of conversational dynamics that lead to or subvert effective collaboration, and (c) needing to help principals become more aware of their role in helping to establish clarity of purpose and appropriate levels of autonomy, so that teams may engage in work that leads to effective and innovative problem-finding and problem-solving activities.

Importance: Previous studies have found racial and ethnic inequities in the receipt of academic awards, such as promotions and National Institutes of Health research funding, among academic medical center faculty. Few data exist about similar racial/ethnic disparities at the level of undergraduate medical education. Objective: To examine the association between medical student race/ethnicity and induction into the Alpha Omega Alpha (AΩA) honor society. Design, Setting, and Participants: This study analyzed data from the Electronic Residency Application Service, the official service used by US medical students to apply to residency programs. A total of 4655 US medical students from 123 allopathic US medical schools who applied to 12 distinct residency programs associated with one academic health center in the 2014 to 2015 academic year were studied. Main Outcomes and Measures: Membership in the AΩA society among black, white, Hispanic, and Asian medical students. Results: A total of 4655 unique applications were analyzed in the study (median age, 26 years; 2133 women [45.8%]). Overall, self-reported race/ethnicity in our sample was 2605 (56.0%) white (691 [71.5%] of AΩA applicants were white), 276 (5.9%) black (7 [0.7%] AΩA), 186 (4.0%) Hispanic (27 [2.8%] AΩA), and 1170 (25.1%) Asian (168 [17.4%] AΩA). After controlling for US Medical Licensing Examination Step 1 scores, research productivity, community service, leadership activity, and Gold Humanism membership, the study found that black (adjusted odds ratio [aOR], 0.16; 95% CI, 0.07-0.37) and Asian (aOR, 0.52; 95% CI, 0.42-0.65) medical students remained less likely to be AΩA members than white medical students. No statistically significant difference was found in AΩA membership between white and Hispanic medical students (aOR, 0.79; 99% CI, 0.45-1.37) in the adjusted model. Conclusions and Relevance: Black and Asian medical students were less likely than their white counterparts to be members of AΩA, which may reflect bias in selection. In turn, AΩA membership selection may affect future opportunities for minority medical students.

This book follows postwar Germany's leading philosopher and social thinker, Jürgen Habermas, through four decades of political and constitutional struggle over the shape of liberal democracy in Germany. Habermas's most influential theories - of the public sphere, communicative action, and modernity - were decisively shaped by major West German political events: the failure to de-Nazify the judiciary, the rise of a powerful Constitutional Court, student rebellions in the late 1960s, the changing fortunes of the Social Democratic Party, NATO's decision to station nuclear weapons, and the unexpected collapse of East Germany. In turn, Habermas's writings on state, law, and constitution played a critical role in reorienting German political thought and culture to a progressive liberal-democratic model. Matthew Specter uniquely illuminates the interrelationship between the thinker and his culture.

Abstract Fracture pattern development has been a challenging area of research in the Earth sciences for more than 100 years. Much has been learned about the spatial and temporal complexity inherent to these systems, but severe challenges remain. Future advances will require new approaches. Chemical processes play a larger role in opening‐mode fracture pattern development than has hitherto been appreciated. This review examines relationships between mechanical and geochemical processes that influence the fracture patterns recorded in natural settings. For fractures formed in diagenetic settings (~50 to 200 °C), we review evidence of chemical reactions in fractures and show how a chemical perspective helps solve problems in fracture analysis. We also outline impediments to subsurface pattern measurement and interpretation, assess implications of discoveries in fracture history reconstruction for process‐based models, review models of fracture cementation and chemically assisted fracture growth, and discuss promising paths for future work. To accurately predict the mechanical and fluid flow properties of fracture systems, a processes‐based approach is needed. Progress is possible using observational, experimental, and modeling approaches that view fracture patterns and properties as the result of coupled mechanical and chemical processes. A critical area is reconstructing patterns through time. Such data sets are essential for developing and testing predictive models. Other topics that need work include models of crystal growth and dissolution rates under geological conditions, cement mechanical effects, and subcritical crack propagation. Advances in machine learning and 3‐D imaging present opportunities for a mechanistic understanding of fracture formation and development, enabling prediction of spatial and temporal complexity over geologic timescales. Geophysical research with a chemical perspective is needed to correctly identify and interpret fractures from geophysical measurements during site characterization and monitoring of subsurface engineering activities.

We tested the internal reliability and predictive validity of a new 4-item Short Social Dominance Orientation (SSDO) scale among adults in 20 countries, using 15 languages ( N = 2,130). Low scores indicate preferring group inclusion and equality to dominance. As expected, cross-nationally, the lower people were on SSDO, the more they endorsed more women in leadership positions, protecting minorities, and aid to the poor. Multilevel moderation models showed that each effect was stronger in nations where a relevant kind of group power differentiation was more salient. Distributions of SSDO were positively skewed, despite use of an extended response scale; results show rejecting group hierarchy is normative. The short scale is effective. Challenges regarding translations, use of short scales, and intersections between individual and collective levels in social dominance theory are discussed.

A panel of experts describes the nature of, and remedies for, method variance. In an attempt to help the reader understand the nature of method variance, the authors describe their experiences with method variance both on the giving and the receiving ends of the editorial review process, as well as their interpretation of other reviewers’ comments. They then describe methods of data analysis and research design, which have been used for detecting and eliminating the effects of method variance. Most methods have some utility, but none prevent the researcher from making faulty inferences. The authors conclude with suggestions for resolving disputes about method variance.