389 research outputs found

    Electronic structure of GdN, and the influence of exact exchange

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    GdN bulk is studied with the local density approximation, on the Hartree-Fock level, and on the level of the hybrid functional B3LYP. A local basis set formalism is used, as implemented in the present CRYSTAL06 release. It is demonstrated that the code is technically capable of treating this system with its 4f electrons explicitly, i.e. out of the core. The band structure at the level of the local density approximation is in good agreement with earlier calculations and is found to be half-metallic. The Hartree-Fock band structure is insulating with a large gap. Interestingly, three solutions were found at the B3LYP level. The lowest of them is insulating for majority spin, and the Fermi surface for minority spin consists only of points, resulting in a very low density of states around the Fermi level.Comment: to appear in J. Phys.: Condensed Matte

    ΠžΡ†Π΅Π½ΠΊΠ° инвСстиционной ΠΏΡ€ΠΈΠ²Π»Π΅ΠΊΠ°Ρ‚Π΅Π»ΡŒΠ½ΠΎΡΡ‚ΠΈ прСдприятия Π½Π° ΠΏΡ€ΠΈΠΌΠ΅Ρ€Π΅ ОАО «Ѐармстандарт – Вомскхимфарм»

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    Данная Ρ€Π°Π±ΠΎΡ‚Π° содСрТит рассмотрСниС тСорСтичСских основ понятия инвСстиционной ΠΏΡ€ΠΈΠ²Π»Π΅ΠΊΠ°Ρ‚Π΅Π»ΡŒΠ½ΠΎΡΡ‚ΠΈ прСдприятия, ΠΊΠ»Π°ΡΡΠΈΡ„ΠΈΠΊΠ°Ρ†ΠΈΡŽ Ρ„Π°ΠΊΡ‚ΠΎΡ€ΠΎΠ², Π²ΠΊΠ»ΡŽΡ‡Π΅Π½Π½Ρ‹Ρ… Π² Π΅Ρ‘ ΠΎΡ†Π΅Π½ΠΊΡƒ ΠΈ ΡΡƒΡ‰Π΅ΡΡ‚Π²ΡƒΡŽΡ‰ΠΈΠ΅ ΠΌΠ΅Ρ‚ΠΎΠ΄Ρ‹ Π΅Ρ‘ ΠΎΡ†Π΅Π½ΠΊΠΈ. ЦСлью Π΄Π°Π½Π½ΠΎΠΉ Ρ€Π°Π±ΠΎΡ‚Ρ‹ являСтся ΠΎΡ†Π΅Π½ΠΊΠ° инвСстиционной ΠΏΡ€ΠΈΠ²Π»Π΅ΠΊΠ°Ρ‚Π΅Π»ΡŒΠ½ΠΎΡΡ‚ΠΈ ОАО "Ѐармстандарт-Вомскхимфарм". Π’ Ρ€Π°ΠΌΠΊΠ°Ρ… достиТСния Π΄Π°Π½Π½ΠΎΠΉ Ρ†Π΅Π»ΠΈ Π±Ρ‹Π» Π²Ρ‹Π±Ρ€Π°Π½ ΠΏΡ€Π΅Π΄ΠΏΠΎΡ‡Ρ‚ΠΈΡ‚Π΅Π»ΡŒΠ½Ρ‹ΠΉ ΠΌΠ΅Ρ‚ΠΎΠ΄ ΠΎΡ†Π΅Π½ΠΊΠΈ, ΠΊΠΎΡ‚ΠΎΡ€Ρ‹ΠΉ Π±Ρ‹Π» ΠΌΠΎΠ΄Π΅Ρ€Π½ΠΈΠ·ΠΈΡ€ΠΎΠ²Π°Π½ ΠΈ ΠΎΠΏΡ‚ΠΈΠΌΠΈΠ·ΠΈΡ€ΠΎΠ²Π°Π½ Π°Π²Ρ‚ΠΎΡ€ΠΎΠΌ для получСния Π½Π°ΠΈΠ±ΠΎΠ»Π΅Π΅ ΠΎΠ±ΡŠΠ΅ΠΊΡ‚ΠΈΠ²Π½Ρ‹Ρ… Ρ€Π΅Π·ΡƒΠ»ΡŒΡ‚Π°Ρ‚ΠΎΠ², Ρ…Π°Ρ€Π°ΠΊΡ‚Π΅Ρ€ΠΈΠ·ΡƒΡŽΡ‰ΠΈΡ… ΠΏΠΎΠ»ΠΎΠΆΠ΅Π½ΠΈΠ΅ прСдприятия для инвСсторов. Π’ Ρ€Π΅Π·ΡƒΠ»ΡŒΡ‚Π°Ρ‚Π΅ исслСдования Π±Ρ‹Π»ΠΈ сформулированы Π²Ρ‹Π²ΠΎΠ΄Ρ‹ ΠΎΡ‚Π½ΠΎΡΠΈΡ‚Π΅Π»ΡŒΠ½ΠΎ инвСстиционной ΠΏΡ€ΠΈΠ²Π»Π΅ΠΊΠ°Ρ‚Π΅Π»ΡŒΠ½ΠΎΡΡ‚ΠΈ прСдприятия, Π²Ρ‹Π΄Π΅Π»Π΅Π½Ρ‹ основныС Ρ„Π°ΠΊΡ‚ΠΎΡ€Ρ‹, ΠΎΠΊΠ°Π·Ρ‹Π²Π°ΡŽΡ‰ΠΈΠ΅ Π½Π° Π½Π΅Ρ‘ Π½Π΅Π³Π°Ρ‚ΠΈΠ²Π½ΠΎΠ΅ влияниС, Ρ€Π°Π·Ρ€Π°Π±ΠΎΡ‚Π°Π½Ρ‹ Ρ€Π΅ΠΊΠΎΠΌΠ΅Π½Π΄Π°Ρ†ΠΈΠΈ ΠΏΠΎ ΠΈΡ… ΡƒΡΡ‚Ρ€Π°Π½Π΅Π½ΠΈΡŽ.This work contains an examination of the theoretical foundations of the concept of the investment attractiveness of the enterprise, the classification of factors that include into its assessment and the existing methods for its evaluation. The purpose of this work is to evaluate the investment attractiveness of OJSC "Pharmstandard-Tomskchimpharm". In the framework of achieving this goal, was selected a preferred valuation method, which was modernized and optimized by the author to obtain the most objective results that characterize the position of the enterprise for investors. As a result of the research were drawn conclusions regarding the investment attractiveness of the enterprise, the main factors that exerted negative influence on it, identified recommendations for their elimination

    Electronic structure of the MO oxides (M=Mg, Ca, Ti, V) in the GW approximation

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    The quasiparticle band structures of nonmagnetic monoxides, MO (M=Mg, Ca, Ti, and V), are calculated by the GW approximation. The band gap and the width of occupied oxygen 2p states in insulating MgO and CaO agree with experimental observation. In metallic TiO and VO, conduction bands originated from metal 3d states become narrower. Then the partial densities of transition metal e_g and t_2g states show an enhanced dip between the two. The effects of static screening and dynamical correlation are discussed in detail in comparison with the results of the Hartree-Fock approximation and the static Coulomb hole plus screened exchange approximation. The d-d Coulomb interaction is shown to be very much reduced by on-site and off-site d-electron screening in TiO and VO. The dielectric function and the energy loss spectrum are also presented and discussed in detail.Comment: 10 pages, 5 figure

    The translation, validity and reliability of the German version of the Fremantle Back Awareness Questionnaire

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    Background: The Fremantle Back Awareness Questionnaire (FreBAQ) claims to assess disrupted self-perception of the back. The aim of this study was to develop a German version of the Fre-BAQ (FreBAQ-G) and assess its test-retest reliability, its known-groups validity and its convergent validity with another purported measure of back perception. Methods: The FreBaQ-G was translated following international guidelines for the transcultural adaptation of questionnaires. Thirty-five patients with non-specific CLBP and 48 healthy participants were recruited. Assessor one administered the FreBAQ-G to each patient with CLBP on two separate days to quantify intra-observer reliability. Assessor two administered the FreBaQ-G to each patient on day 1. The scores were compared to those obtained by assessor one on day 1 to assess inter-observer reliability. Known-groups validity was quantified by comparing the FreBAQ-G score between patients and healthy controls. To assess convergent validity, patient\u27s FreBAQ-G scores were correlated to their two-point discrimination (TPD) scores. Results: Intra- and Inter-observer reliability were both moderate with ICC3.1 = 0.88 (95%CI: 0.77 to 0.94) and 0.89 (95%CI: 0.79 to 0.94), respectively. Intra- and inter-observer limits of agreement (LoA) were 6.2 (95%CI: 5.0Β±8.1) and 6.0 (4.8Β±7.8), respectively. The adjusted mean difference between patients and controls was 5.4 (95%CI: 3.0 to 7.8, p\u3c0.01). Patient\u27s FreBAQ-G scores were not associated with TPD thresholds (Pearson\u27s r = -0.05, p = 0.79). Conclusions: The FreBAQ-G demonstrated a degree of reliability and known-groups validity. Interpretation of patient level data should be performed with caution because the LoA were substantial. It did not demonstrate convergent validity against TPD. Floor effects of some items of the FreBAQ-G may have influenced the validity and reliability results. The clinimetric properties of the FreBAQ-G require further investigation as a simple measure of disrupted self-perception of the back before firm recommendations on its use can be made

    Lung surfactant in subacute pulmonary disease

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    Pulmonary surfactant is a surface active material composed of both lipids and proteins that is produced by alveolar type II pneumocytes. Abnormalities of surfactant in the immature lung or in the acutely inflamed mature lung are well described. However, in a variety of subacute diseases of the mature lung, abnormalities of lung surfactant may also be of importance. These diseases include chronic obstructive pulmonary disease, asthma, cystic fibrosis, interstitial lung disease, pneumonia, and alveolar proteinosis. Understanding of the mechanisms that disturb the lung surfactant system may lead to novel rational therapies for these diseases
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