Ground-State Properties of the Hydrogen Chain: Dimerization, Insulator-to-Metal Transition, and Magnetic Phases

Accurate and predictive computations of the quantum-mechanical behavior of many interacting electrons in realistic atomic environments are critical for the theoretical design of materials with desired properties, and they require solving the grand-challenge problem of the many-electron Schr\uf6dinger equation. An infinite chain of equispaced hydrogen atoms is perhaps the simplest realistic model for a bulk material, embodying several central themes of modern condensed-matter physics and chemistry while retaining a connection to the paradigmatic Hubbard model. Here, we report a combined application of cutting-edge computational methods to determine the properties of the hydrogen chain in its quantum-mechanical ground state. Varying the separation between the nuclei leads to a rich phase diagram, including a Mott phase with quasi-long-range antiferromagnetic order, electron density dimerization with power-law correlations, an insulator-to-metal transition, and an intricate set of intertwined magnetic orders

Scientific assessment of the use of sugars as cigarette tobacco ingredients: A review of published and other publicly available studies

Sugars, such as sucrose or invert sugar, have been used as tobacco ingredients in American-blend cigarettes to replenish the sugars lost during curing of the Burley component of the blended tobacco in order to maintain a balanced flavor. Chemical-analytical studies of the mainstream smoke of research cigarettes with various sugar application levels revealed that most of the smoke constituents determined did not show any sugar-related changes in yields (per mg nicotine), while ten constituents were found to either increase (formaldehyde, acrolein, 2-butanone, isoprene, benzene, toluene, benzo[k]fluoranthene) or decrease (4-aminobiphenyl, N-nitrosodimethylamine, N-nitrosonornicotine) in a statistically significant manner with increasing sugar application levels. Such constituent yields were modeled into constituent uptake distributions using simulations of nicotine uptake distributions generated on the basis of published nicotine biomonitoring data, which were multiplied by the constituent/nicotine ratios determined in the current analysis. These simulations revealed extensive overlaps for the constituent uptake distributions with and without sugar application. Moreover, the differences in smoke composition did not lead to relevant changes in the activity in in vitro or in vivo assays. The potential impact of using sugars as tobacco ingredients was further assessed in an indirect manner by comparing published data from markets with predominantly American-blend or Virginia-type (no added sugars) cigarettes. No relevant difference was found between these markets for smoking prevalence, intensity, some markers of dependence, nicotine uptake, or mortality from smoking-related lung cancer and chronic obstructive pulmonary disease. In conclusion, thorough examination of the data available suggests that the use of sugars as ingredients in cigarette tobacco does not increase the inherent risk and harm of cigarette smoking

навчальний посібник

Психологія у професійній діяльності поліції : навч. посіб. / [О. О. Євдокімова, І. В. Жданова, Д. В. Швець та ін.] ; за заг. ред. В. В. Сокуренка; МВС України, Харків, нац. ун-т внутр. справ. - Харків, 2018. - 426 с.Навчальний посібник підготовлено відповідно до навчальних програм з дисциплін «Професійно-психологічна підготовка працівників поліції», «Юридична психологія», «Практична психологія». У посібнику висвітлено загальні та спеціальні психологічні питання професійної діяльності поліції. Рекомендується для використання в освітньому процесі підготовки поліцейських; у професійній діяльності працівників Національної поліції.The manual has been prepared in accordance with the curriculum for the disciplines "Professional psychological training of police officers", "Legal psychology", "Practical psychology". The manual covers general and special psychological issues of professional police work. Recommended for use in the educational process of training police officers; in the professional activities of employees of the National Police.Учебное пособие подготовлено в соответствии с учебными программами по дисциплинам «Профессионально-психологическая подготовка сотрудников полиции», «Юридическая психология», «Практическая психология». В пособии освещены общие и специальные психологические вопросы профессиональной деятельности полиции. Рекомендуется для использования в образовательном процессе подготовки полицейских; в профессиональной деятельности работников Национальной полиции