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Search Results: 1 - 10 of 210838 matches for " Oleg L. Polyansky "
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QED correction for H$_3^+$
Lorenzo Lodi,Oleg L. Polyansky,Jonathan Tennyson,Alexander Alijah,Nikolai F. Zobov
Physics , 2014, DOI: 10.1103/PhysRevA.89.032505
Abstract: A quantum electrodynamics (QED) correction surface for the simplest polyatomic and polyelectronic system H$_3^+$ is computed using an approximate procedure. This surface is used to calculate the shifts to vibration-rotation energy levels due to QED; such shifts have a magnitude of up to 0.25 cm$^{-1}$ for vibrational levels up to 15~000 cm$^{-1}$ and are expected to have an accuracy of about 0.02 cm$^{-1}$. Combining the new H$_3^+$ QED correction surface with existing highly accurate Born-Oppenheimer (BO), relativistic and adiabatic components suggests that deviations of the resulting {\it ab initio} energy levels from observed ones are largely due to non-adiabatic effects.
Variational calculation of highly excited rovibrational energy levels of H2O2
Oleg L. Polyansky,Igor N. Kozin,Roman I. Ovsyannikov,Pawel Malyszek,Jacek Koput,Jonathan Tennyson,Sergei N. Yurchenko
Physics , 2013, DOI: 10.1021/jp401216g
Abstract: Results are presented for highly accurate ab initio variational calculation of the rotation - vibration energy levels of H2O2 in its electronic ground state. These results use a recently computed potential energy surface and the variational nuclear-motion programmes WARV4, which uses an exact kinetic energy (EKE) operator, and TROVE, which uses a numerical expansion for the kinetic energy. The TROVE calculations are performed for levels with high values of rotational excitation, $J$ up to 35. The purely \ai\ calculations of the rovibrational energy levels reproduce the observed levels with a standard deviation of about 1 \cm, similar to that of the $J = 0$ calculation as the discrepancy between theory and experiment for rotational energies within a given vibrational state is substantially determined by the error in the vibrational band origin. Minor adjustments are made to the ab initio equilibrium geometry and to the height of the torsional barrier. Using these and correcting the band origins using the error in $J = 0$ states lowers the standard deviation of the observed $-$ calculated energies to only 0.002 \cm\ for levels up to $J = 10$ and 0.02 \cm\ for all experimentally know energy levels, which extend up to $J = 35$.
High accuracy CO$_2$ line intensities determined from theory and experiment
Oleg L. Polyansky,Katarzyna Bielska,Mélanie Ghysels,Lorenzo Lodi,Nikolai F. Zobov,Joseph T. Hodges,Jonathan Tennyson
Physics , 2015, DOI: 10.1103/PhysRevLett.114.243001
Abstract: Atmospheric CO$_2$ concentrations are being closely monitored by remote sensing experiments which rely on knowing line intensities with an uncertainty of 0.5\%\ or better. Most available laboratory measurements have uncertainties much larger than this. We report a joint experimental and theoretical study providing rotation-vibration line intensities with the required accuracy. The {\it ab initio} calculations are extendible to all atmospherically important bands of CO$_2$ and to its isotologues. As such they will form the basis for detailed CO$_2$ spectroscopic line lists for future studies.
Visible line intensities of the triatomic hydrogen ion from experiment and theory
Annemieke Petrignani,Max H. Berg,Florian Grussie,Andreas Wolf,Irina I. Mizus,Oleg L. Polyansky,Jonathan Tennyson,Nikolai F. Zobov,Michele Pavanello,Ludwik Adamowicz
Physics , 2015, DOI: 10.1063/1.4904440
Abstract: The visible spectrum of H3+ is studied using high-sensitivity action spectroscopy in a cryogenic radiofrequency multipole trap. Advances are made to measure the weak ro-vibrational transitions from the lowest rotational states of H3+ up to high excitation energies providing visible line intensities and, after normalisation to an infrared calibration line, the corresponding Einstein $B$ coefficients. {\it Ab initio} predictions for the Einstein $B$ coefficients are obtained from a highly precise dipole moment surface of H3+ and found to be in excellent agreement, even in the region where states have been classified as chaotic.
Recommended isolated-line profile for representing high-resolution spectroscopic transitions (IUPAC Technical Report)
Jonathan Tennyson,Peter F. Bernath,Alain Campargue,Attila G. Csaszar,Ludovic Daumont,Robert R. Gamache,Joseph T. Hodges,Daniel Lisak,Olga V. Naumenko,Laurence S. Rothman,Ha Tran,Nikolai F. Zobov,Jeanna Buldyreva,Chris D. Boone,Maria Domenica De Vizia,Livio Gianfrani,Jean-Michel Hartmann,Robert McPheat,Jonathan Murray,Ngoc Hoa Ngo,Oleg L. Polyansky,Damien Weidmann
Physics , 2014, DOI: 10.1515/pac-2014-0208
Abstract: The report of an IUPAC Task Group, formed in 2011 on "Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory" (Project No. 2011-022-2-100), on line profiles of isolated high-resolution rotational-vibrational transitions perturbed by neutral gas-phase molecules is presented. The well-documented inadequacies of the Voigt profile (VP), used almost universally by databases and radiative-transfer codes, to represent pressure effects and Doppler broadening in isolated vibrational-rotational and pure rotational transitions of the water molecule have resulted in the development of a variety of alternative line-profile models. These models capture more of the physics of the influence of pressure on line shapes but, in general, at the price of greater complexity. The Task Group recommends that the partially Correlated quadratic-Speed-Dependent Hard-Collision profile should be adopted as the appropriate model for high-resolution spectroscopy. For simplicity this should be called the Hartmann--Tran profile (HTP). The HTP is sophisticated enough to capture the various collisional contributions to the isolated line shape, can be computed in a straightforward and rapid manner, and reduces to simpler profiles, including the Voigt profile, under certain simplifying assumptions.
ExoMol line lists III: An improved hot rotation-vibration line list for HCN and HNC
R. J. Barber,J. K. Strange,C. Hill,O. L. Polyansky,G. Ch. Mellau,S. N. Yurchenko,Jonathan Tennyson
Physics , 2013, DOI: 10.1093/mnras/stt2011
Abstract: A revised rotation-vibration line list for the combined hydrogen cyanide (HCN) / hydrogen isocyanide (HNC) system is presented. The line list uses {\it ab initio} transition intensities calculated previously (Harris et al., ApJ, 2002, 578, 657) and extensive datasets of recently measured experimental energy levels (Mellau, J. Chem. Phys. and J. Mol. Spectrosc. 2010-2011). The resulting line list has significantly more accurate wavelengths than previous ones for these systems. An improved value for the separation between HCN and HNC is adopted leading to an approximately 25%\ lower predicted thermal population of HNC as a function of temperature in the key 2000 to 3000 K region. Temperature-dependent partition functions and equilibrium constants are presented. The line lists are validated by comparison with laboratory spectra and are presented in full as supplementary data to the article and at \url{www.exomol.com}.
Cost Forming in Trotting Horse Breeding Особенности формирования себестоимости выращивания племенного молодняка лошадей рысистого назначения
Kukla Oleg L.
Business Inform , 2013,
Abstract: The features of forming of prime price of growing of pedigree sapling of horse of the trotting setting are exposed in the article. General annual charges on one head, their structure were presented. The prime price of maintenance of one head of trotting stallions must make age of 0,5-1,5 year 15,65 UAH in a day. The prime price of maintenance of one head of trotting mare horse by age of 0,5-1,5 year owes is 14,82 UAH in a day. Annual charges on growing of trotting sapling of 1,5-3,0 year are made by 12678,3 UAH on a year, or 34,71 UAH in a day. В статье раскрыты особенности формирования себестоимости выращивания племенного молодняка лошадей рысистого назначения. Определены общие годовые расходы на одну голову, их структура. Себестоимость содержания одной головы рысистых жеребчиков возрастом 0,5-1,5 года должна составлять 15,65 грн. в день. Себестоимость содержания одной головы рысистых маток возрастом 0,5-1,5 года должна составлять14,82 грн. в день. Годовые расходы на выращивание рысистого молодняка 1,5-3,0 года составляют 12678,30 грн. на год, или 34,71 грн. в день.
Quasirandom permutations are characterized by 4-point densities
Daniel Král',Oleg Pikhurko
Mathematics , 2012,
Abstract: For permutations P and T of lengths |P|\le|T|, let t(P,T) be the probability that the restriction of T to a random |P|-point set is (order) isomorphic to P. We show that every sequence \{T_j\} of permutations such that |T_j|\to\infty and t(P,T_j)\to 1/4! for every 4-point permutation P is quasirandom (that is, t(P,T_j)\to 1/|P|! for every P). This answers a question posed by Graham.
地球信息科学学报 , 2007,
Abstract: 综合数字区域模型在区域可持续发展的任何模型实现中都是不可或缺的,而空间数据基础设施为综合数字区域模型提供了一个可靠的基础。其可以很方便地在地图信息或者直接在地理信息系统(GIS)内形成。这种GIS系统具有开发良好的模型函数,能够集成专家系统,也能被设计全尺度多媒体产品。GIS允许集成不同的信息资源、模型、可视化和分析、各种假设的详尽细节和为诸如自然-社会-经济等的复杂系统提供可选开发方案。一个综合辅助信息系统的结构包括紧密相关的社会-政治、经济(或生产)、自然资源和环境模块。它提供了对于不同区域范围社会生态系统的全面描述,显示了自然和人类资源的重要性。人们在这个研究领域将会谈及自然和社会管理。根据它们的变化层次体系(从全局范围到局部范围)可以描述所有专题,并且考虑在不同尺度上描述的现象的专业特征。超媒体系统原理可以通过链接集成主题来实现。这种系统的日益复杂性使得系统的智能化成为必要,专家系统和神经元网络可以从很复杂并且非常模糊的问题中得出可行的解决方案。现代GIS配有很多设备,对用户来说,这使得用基础地图和互联网获取必要的数据来编制专题图成为可能。数学建模的专业方法具有特殊的重要性,特别是那些旨在追求在区域变换到可持续发展模型时设想的详尽细节的方法。最高级的AIS能作为全尺度的决策支持系统使用。莫斯科国立大学试图实现上述思想,开发了俄罗斯可持续发展信息系统框架,特以俄罗斯南部地区为一案例。该示例一方面作为更大区域即国家的一部分进行描述,另一方面作为一个或多或少、基于资源发展的单元进行描述。也能对区域发展战略和改革措施提出建议。我们已经对所有俄罗斯地区进行了分类,并且指出了不同组(工业、农业等)的最典型代表。将精心设计几个系统的区域分支来描述整个国家的不同地域类型。计算机辅助信息系统提供用户以各种各样传统地图集的计算机的模拟,为决策者对未来的设计和区域发展变量评估等创造了条件。我们正在开发一个大范围有机废弃产品处理的测试GIS系统。其主要目标是为在废弃物储存和掩埋场所的生物降解进行方法研究。其应用包括存放生活和工业废品的场所的使用和改进(包括工业和农业的场所和废品产生的地方);污水处理设备的建设和重建等。
Statistical polymer method: Modeling of macromolecules and aggregates with branching and crosslinking, formed in random processes
Freddy A. Romm,Oleg L. Figovsky
Discrete Dynamics in Nature and Society , 1997, DOI: 10.1155/s1026022698000181
Abstract: The statistical polymer method is based on the consideration of averaged structures of all possible macromolecules of the same weight. One has derived equations allowing evaluation of all additive parameters of macromolecules and their systems. The statistical polymer method allows modeling of branched crosslinked macromolecules and their systems in equilibrium or non-equilibrium. The fractal consideration of statistical polymer allows modeling of all kinds of random fractal and other objects studied by fractal theory. The statistical polymer method is applicable not only to polymers but also to composites, gels,associates in polar liquids and other aggregates.
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