134 research outputs found
Modeling Off-the-Shelf Pan/Tilt Cameras for Active Vision Systems
There are many existing multicamera systems that perform object identification and track ing. Some applications include but are not limited to security surveillance and smart rooms. Yet there is still much work to be done in improving such systems to achieve a high level of automation while obtaining reasonable performance. Thus far design and implementation of these systems has been done using heuristic methods, primarily due to the complexity of the problem. Most importantiy, the performance of these systems is assessed by evaluating subjective quantities. The goal of this work is to take the first step in structured analysis and design of multicamera systems, that is, to introduce a model of a single camera with asso ciated image processing algorithms capable of tracking a target. A single camera model is developed such that it could be easily used as a building block for a multicamera system
Using Cumulant Analysis For Entropic Complexity Measures
A simplified approach based on the cumulant analysis of the Shannon entropy is proposed for measuring complexity. We report the result of such analysis for some generic problems (mixing r − component ideal
gas, the simplest geometric ornament, Schrödinger's cat states, and the logistic map). We argue that the new measures have benefits compared to the currently practiced measures in the Shiner-Davison-Landsberg and Lopes-Ruiz-Mancini-Calbet approaches
Evaluation of the quasi correlated tight-binding (QCTB) model for describing polyradical character in polycyclic hydrocarbons
We present a verification and significant algorithmic improvement of the quasi-correlation tightbinding (QCTB) scheme (a H¨uckel-Hubbard-type model mimicking electron correlation) for describing
effectively unpaired electrons in the spirit of Head-Gordon’s approach [M. Head-Gordon, Chem. Phys. Lett. 380, 488 (2003)]. For comparison purposes, results based on the high-level ab initio multireference averaged quadratic coupled cluster method previously computed in our works are invoked. In doing so, typical polyaromatic hydrocarbons (polyacenes, periacenes, zethrenes, and the
Clar goblet) are studied. The evaluation shows that the QCTB H¨uckel-like scheme extended for electron correlation effects provides a qualitatively and in several cases also quantitatively good picture of the unpairing electrons in formally closed-shell electronic systems. Additionally, fairly large nanographene systems of triangulene structure (C426) and a perforated nanoribbon (C8860) have been treated at QCTB level. Two analytical model problems in the framework of QCTB prove the ability of this approximation to give a correct description of natural orbital occupancy spectra. For the studied QCTB scheme, an efficient algorithm is elaborated, and large-scale calculations of radical characteristics for nanographene networks with thousands of carbon atoms are possible
Entanglement Measures for Single- and Multi-Reference Correlation Effects
Electron correlation effects are essential for an accurate ab initio
description of molecules. A quantitative a priori knowledge of the single- or
multi-reference nature of electronic structures as well as of the dominant
contributions to the correlation energy can facilitate the decision regarding
the optimum quantum chemical method of choice. We propose concepts from quantum
information theory as orbital entanglement measures that allow us to evaluate
the single- and multi-reference character of any molecular structure in a given
orbital basis set. By studying these measures we can detect possible artifacts
of small active spaces.Comment: 14 pages, 4 figure
Charge separation: From the topology of molecular electronic transitions to the dye/semiconductor interfacial energetics and kinetics
Charge separation properties, that is the ability of a chromophore, or a
chromophore/semiconductor interface, to separate charges upon light absorption,
are crucial characteristics for an efficient photovoltaic device. Starting from
this concept, we devote the first part of this book chapter to the topological
analysis of molecular electronic transitions induced by photon capture. Such
analysis can be either qualitative or quantitative, and is presented here in
the framework of the reduced density matrix theory applied to single-reference,
multiconfigurational excited states. The qualitative strategies are separated
into density-based and wave function-based approaches, while the quantitative
methods reported here for analysing the photoinduced charge transfer nature are
either fragment-based, global or statistical. In the second part of this
chapter we extend the analysis to dye-sensitized metal oxide surface models,
discussing interfacial charge separation, energetics and electron injection
kinetics from the dye excited state to the semiconductor conduction band
states
Complexity and neutron stars structure
We apply the statistical measure of complexity introduced by Lopez-Ruiz,
Mancini and Calbet to neutron stars structure. Neutron stars is a classical
example where the gravitational field and quantum behavior are combined and
produce a macroscopic dense object. Actually, we continue the recent
application of Sanudo and Pacheco to white dwarfs structure. We concentrate our
study on the connection between complexity and neutron star properties, like
maximum mass and the corresponding radius, applying a specific set of realistic
equation of states. Moreover, the effect of the strength of the gravitational
field on the neutron star structure and consequently on the complexity measure
is also investigated. It is seen that neutron stars, consistent with
astronomical observations so far, are ordered systems (low complexity), which
cannot grow in complexity as their mass increases. This is a result of the
interplay of gravity, the short-range nuclear force and the very short-range
weak interaction.Comment: Preprint, 23 pages, 28 figure
СТАБИЛЬНЫЕ ЭЛЕКТРОННО-ЯДЕРНЫЕ СПИНОВЫЕ СИСТЕМЫ NV–13C В АЛМАЗЕ ДЛЯ КВАНТОВЫХ ТЕХНОЛОГИЙ
Using the methods of computational chemistry, we calculated matrices AKL describing hyperfine interactions (HFI) between the electron spin of the color ‘nitrogen-vacancy’ center (NV center) in a diamond and a 13C nuclear spin located somewhere in the Н-terminated carbon cluster C510[NV]H252 hosting the NV center. The rates W0 of the 13C spin flip-flops induced by anisotropic HFI are calculated systematically for all possible locations of 13C in the cluster. It is shown that in the cluster, there are specific positions of nuclear 13C spin, in which it almost does not undergo such flip-flops due to small off-diagonal elements in corresponding matrices AKL. Spatial locations of the 13C stability positions in the cluster are discovered and characteristic splitting values in the spectra of optically detected magnetic resonance (ODMR) for the stable NV–13C systems are calculated, which can be utilized to identify them during their experimental search for use in emerging quantum technologies. It is shown that the positions of the 13C nuclear spin located on the NV center symmetry axis are completely stable (W0 = 0). The characteristics of eight ‘axial’ NV–13C systems are elucidated. The presence of additional ‘non-axial’ near-stable NV–13C spin systems also exhibiting very low flip-flop rates (W0 → 0) due to a high local symmetry of the spin density distribution resulting in vanishing the off-diagonal HFI matrix AKL elements for such systems is revealed for the first time. Spatially, these ‘non-axial’ stable NV–13C systems are located near the plane passing through the vacancy of the NV center and being perpendicular to the NV axis. Analysis of the available publications showed that apparently, some of the predicted stable NV–13C systems have already been observed experimentally. Методами компьютерной химии рассчитаны матрицы AKL, описывающие сверхтонкое взаимодействие (СТВ) электронного спина центра окраски «азот-вакансия» (NV-центра) в алмазе с ядерным спином атома 13С, который расположен в одном из возможных узлов решетки в пассивированном водородом углеродном кластере С510[NV]H252. Выполнен систематический анализ скоростей W0 переворотов ядерных спинов 13С, индуцируемых их анизотропным СТВ с электронным спином NV-центра. Показано, что в кластере имеются специфические позиции ядерного спина 13С, в которых он практически не испытывает таких переворотов вследствие малости недиагональных элементов в соответствующих матрицах AKL. Определено пространственное расположение найденных позиций стабильности в кластере относительно NV-центра и рассчитаны величины характерных расщеплений в спектрах оптически детектируемого магнитного резонанса (ОДМР) для стабильных систем NV–13C, по которым их можно идентифицировать в процессе их экспериментального поиска для использования в разрабатываемых квантовых технологиях. Показано, что полностью стабильными (W0 = 0) являются позиции ядерного спина, расположенные на оси симметрии NV-центра. Найдены характеристики восьми таких «осевых» систем NV–13C. Впервые обнаружено наличие в кластере дополнительных «неосевых» квазистабильных систем NV–13C, имеющих малые скорости переворотов (W0 .→0) спина 13С вследствие высокой локальной симметрии распределения спиновой плотности, обусловливающей малость недиагональных элементов матриц СТВ для таких систем. Пространственно «не осевые» стабильные системы NV–13C расположены в плоскости, проходящей через вакансию NV-центра перпендикулярно его оси. Выполненный анализ имеющихся литературных данных показал, что, по-видимому, некоторые из предсказанных стабильных систем NV–13C уже наблюдались экспериментально.
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