Construction of Simulation Wavefunctions for Aqueous Species: D3O+

This paper investigates Monte Carlo techniques for construction of compact wavefunctions for the internal atomic motion of the D3O+ ion. The polarization force field models of Stillinger, et al and of Ojamae, et al. were used. Initial pair product wavefunctions were obtained from the asymptotic high temperature many-body density matrix after contraction to atom pairs using Metropolis Monte Carlo. Subsequent characterization shows these pair product wavefunctions to be well optimized for atom pair correlations despite that fact that the predicted zero point energies are too high. The pair product wavefunctions are suitable to use within variational Monte Carlo, including excited states, and density matrix Monte Carlo calculations. Together with the pair product wavefunctions, the traditional variational theorem permits identification of wavefunction features with significant potential for further optimization. The most important explicit correlation variable found for the D3O+ ion was the vector triple product {\bf r}$_{OD1}\cdot$({\bf r}$_{OD2}\times${\bf r}$_{OD3}$). Variational Monte Carlo with 9 of such explicitly correlated functions yielded a ground state wavefunction with an error of 5-6% in the zero point energy.Comment: 17 pages including 6 figures, typos correcte

Brazilian Endowments Outlook

The first registered endowment in Brazil dates from 1956. The model, however, was not adopted by many organizations, and only in the decade of 2010 it started becoming more popular. The first law that regulates endowments was created in 2019 and since then the debate around them has been rising.Little by little, there were news about new endowment, but there was no information about their number and sizes, or where they were located and causes they beneficiated. These are some of the questions that we at IDIS often hear. And the problem is that there was no data to answer them. Despite seeing the fruits of our efforts, we were not sure about the size of the endowment fund field in the country, nor its characteristics.It was the urge to answer these questions, and many others, that led IDIS to develop the BRAZILIAN ENDOWMENTS OUTLOOK. After more than ten years of advocating for the regulation of endowment funds in our country, providing technical support for the creation of more than ten funds, and launching six publications on the subject, we wanted to have a clear picture of how far we have come.The challenge was easy, as endowment fund managers are not used to disclosing numbers, let alone talking about their own difficulties. To our surprise, some traditional funds were willing to participate promptly, and this attitude spurred others to do the same. We gathered information on 58 endowment funds, six of which are still in the planning or structuring phase. In this publication, we have gathered the highlights we consider most important for the international public and those who are interested in learning more about this important aspect of philanthropy in Brazil

Enhancing supply chain stability, resilience and sustainability through improved sub-supplier management – chocolate and cotton apparel case studies

The majority of Swiss agri-food companies source from global supply chains. Yet, only occasionally supply chain initatives achieve the desired improvements in sustainability performance. In close collaboration with six companies of two important sectors of the Swiss economy – chocolate and textile – this project will identify and analyse various supply chain management options in order to support science-based decision making with respect to global supplier management

Enhancing supply chain stability, resilience and sustainability through improved sub-supplier management – chocolate and cotton apparel case studies

The majority of Swiss agri-food companies source from global supply chains. Yet, only occasionally supply chain initatives achieve the desired improvements in sustainability performance. In close collaboration with six companies of two important sectors of the Swiss economy – chocolate and textile – this project will identify and analyse various supply chain management options in order to support science-based decision making with respect to global supplier management

The United States as a Developing Country Studies in U.S. History in the Progressive Era and the 1920

SKLAR, Martin J. The United States as a Developing Country Studies in U.S. History in the Progressive Era and the 1920

The Moderation Effect of Generation on the Relationship between Psychological Flexibility and COVID-19 Preventive Behaviour among Females

Disease prevention behaviour is essential during the ongoing COVID-19 pandemic. How people respond to information and regulations to control this infectious disease can be influenced by their age and generational identity. An individual with an optimal level of psychological flexibility can adapt to challenging situations more efficiently. Hence, the purpose of the present study was to investigate the moderating effect of generation on the relationship between psychological flexibility and COVID-19 preventive behaviour among different generational cohorts of women (baby boomers, X, Y, and Z). This relationship was rarely addressed in the literature, which is what inspired this study. Data were collected through an online survey. The responses of 834 Hungarian speaking women between the ages of 18 and 75 years old were successfully gathered. Four generational cohorts were represented in the sample population: baby boomers (age \u3e 56), X (age 41-55), Y (age 24-40), and Z (age 18-25). The moderation effect was calculated using the PROCESS macro in SPSS. A statistically significant moderation effect of generation was found on the relationship between psychological flexibility and COVID-19 prevention behaviour and the interaction added a small but significant contribution to the final model predicting preventive behaviour. In Generation Z, psychological flexibility predicted an increase in preventive behaviour, but no significant prediction was found among other generational cohorts. Females in their twenties seemed to be more engaged in COVID-19 prevention behaviour, if their psychological flexibility was higher, but failed to comply with health recommendations and safety protocols at low levels of flexibility. This study may provide a new perspective on how generational cohorts can influence the effect of psychological factors on COVID-19 preventive behaviour. Prevention of avoidance behaviours and facilitation of acceptance is definitory for psychologically flexible behaviours, while disease avoidance is crucial in prevention behaviour of COVID-19. Further research is needed to clarify our findings

The Development and Validation of COVID-19 Prevention Behaviour Scale on Female Hungarian Population

In the emergency situation of an ongoing global pandemic, disease prevention behaviour is essential. The majority of studies assess preventive behaviour through relevant unidimensional questions, but this approach is not necessarily the best way to conceptualize prevention, as health maintenance guidelines cover several different areas of possible individual precautionary and preventive practices. The aim of the study is the development and validation of a multidimensional COVID-19 prevention behaviour scale for the Hungarian speaking population (Covid-19-PBS). The items address major aspects related to preventive behaviour towards COVID-19 inspired by preliminary pandemic studies and the WHO prevention recommendations. 612 eligible female individuals were included in the study; the sample was recruited from the Hungarian general population, and participants were between the ages of 18 and 65 years old. According to preliminary studies women are more likely to engage proactively in prevention behaviour; they perceive the risk of a disease more profoundly, and even disease information seeking was more prevalent among women. An exploratory factor analysis was performed for this new scale, followed by a confirmatory factor analysis. According to our results, the model fit indices are adequate (CFI= .928, RMSEA= .064). Cronbach’s alpha was used to examine the reliability of the factors; the internal validity of the scale is good (α = .78). The final instrument contains 11 items with responses scored on a 4-point Likert scale and 3 domains: general hygiene, social distancing, and COVID-19 information-seeking behaviour. Our results have revealed that the new scale has good psychometric properties and may be a useful instrument for assessing COVID-19 preventive behaviour across women. This tool can be useful for professionals in order to develop more effective and targeted prevention programs especially in the female population, as the instrument was validated only in women up to this stage. This scale can serve the purpose of improving individual and collective adjustment to prevention regulations during the epidemic