84 research outputs found

    Design of multivariable feedback control systems via spectral assignment

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    The applicability of spectral assignment techniques to the design of multivariable feedback control systems was investigated. A fractional representation design procedure for unstable plants is presented and illustrated with an example. A computer aided design software package implementing eigenvalue/eigenvector design procedures is described. A design example which illustrates the use of the program is explained

    TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

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    TURBOMOLE is a collaborative, multi-national software development project aiming to provide highly efficient and stable computational tools for quantum chemical simulations of molecules, clusters, periodic systems, and solutions. The TURBOMOLE software suite is optimized for widely available, inexpensive, and resource-efficient hardware such as multi-core workstations and small computer clusters. TURBOMOLE specializes in electronic structure methods with outstanding accuracy–cost ratio, such as density functional theory including local hybrids and the random phase approximation (RPA), GW-Bethe–Salpeter methods, second-order Møller–Plesset theory, and explicitly correlated coupled-cluster methods. TURBOMOLE is based on Gaussian basis sets and has been pivotal for the development of many fast and low-scaling algorithms in the past three decades, such as integral-direct methods, fast multipole methods, the resolution-of-the-identity approximation, imaginary frequency integration, Laplace transform, and pair natural orbital methods. This review focuses on recent additions to TURBOMOLE’s functionality, including excited-state methods, RPA and Green’s function methods, relativistic approaches, high-order molecular properties, solvation effects, and periodic systems. A variety of illustrative applications along with accuracy and timing data are discussed. Moreover, available interfaces to users as well as other software are summarized. TURBOMOLE’s current licensing, distribution, and support model are discussed, and an overview of TURBOMOLE’s development workflow is provided. Challenges such as communication and outreach, software infrastructure, and funding are highlighted

    TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

    Get PDF
    TURBOMOLE is a collaborative, multi-national software development project aiming to provide highly efficient and stable computational tools for quantum chemical simulations of molecules, clusters, periodic systems, and solutions. The TURBOMOLE software suite is optimized for widely available, inexpensive, and resource-efficient hardware such as multi-core workstations and small computer clusters. TURBOMOLE specializes in electronic structure methods with outstanding accuracy–cost ratio, such as density functional theory including local hybrids and the random phase approximation (RPA), GW-Bethe–Salpeter methods, second-order Møller–Plesset theory, and explicitly correlated coupled-cluster methods. TURBOMOLE is based on Gaussian basis sets and has been pivotal for the development of many fast and low-scaling algorithms in the past three decades, such as integral-direct methods, fast multipole methods, the resolution-of-the-identity approximation, imaginary frequency integration, Laplace transform, and pair natural orbital methods. This review focuses on recent additions to TURBOMOLE’s functionality, including excited-state methods, RPA and Green’s function methods, relativistic approaches, high-order molecular properties, solvation effects, and periodic systems. A variety of illustrative applications along with accuracy and timing data are discussed. Moreover, available interfaces to users as well as other software are summarized. TURBOMOLE’s current licensing, distribution, and support model are discussed, and an overview of TURBOMOLE’s development workflow is provided. Challenges such as communication and outreach, software infrastructure, and funding are highlighted

    نمایه مقاله‌های شماره‌ی12،14، 19، 23 ویژه‌نامه‌ی فقه و حقوق اسلامی

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    چکیده تهیه نمایه‌های تخصصی مرتبط با منابع، به‌ویژه منابعی که به شکل مجلات تخصصی منتشر می‌شوند، می‌تواند دسترسی سریع، صحیح و آسان به اطلاعات علمی را برای خوانندگان منابع و پژوهش‌گران فراهم کند. نمایه‌ی حاضر برای چهار شماره‌ی 12، 14، 19 و23 «ویژه‌نامه‌ی فقه و حقوق اسلامی» تهیه شده است که تا پیش از تأسیس مجله مستقل «مطالعات فقه و حقوق اسلامی» به عنوان یکی از ویژه‌نامه‌های «مجله دانشکده علوم انسانی دانشگاه سمنان» چاپ و منتشر می‌شد. این نمایه، راهنمای مقاله‌های منتشر شده در چهار شماره‌ی فوق‌الذکر می‌باشد. تلاش شده است تا از طریق کلیدواژه‌ها و عباراتی که بتوانند محتوای مقالات را بازگویند، نمایه‌ای تهیه شود تا خوانندگان مجله را به‌گونه‌ای سریع، صحیح و آسان به محتوای مجله رهنمون شویم

    Hierarchical Bayesian Methods for Recognition and Extraction of 3-D Shape Features from CAD Solid Models

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    1. INTRODUCTION Machine identification and extraction of form features from CAD solid models is essential for many tasks in CAD/CAM, computer vision, and manufacturing. Example tasks in these areas which need information about form features include generation of process plans to produce a component based on its design, automatic inspection of the manufactured parts, evaluation of manufacturability of the components, etc. The scheme used by most commercial CAD solid modelers to describe objects is a type of boundary representation (Brep), which uses the edges and faces bounding the object to describe it. However, the above mentioned tasks commonly need and use semantic information including descriptions of slots, holes, pockets, etc. Form features have been loosely defined as a collection of topologic entities of an object with semantic meaning. Since the form features of an object, such as slots, holes, pockets, etc are not directly accessible from the face and edge information provid..

    Polarizable Embedded ADC(2) gradients and DNA-confinement effects on the electronically excited-state relaxation pathways of Berenil

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    Eine neue Implementierung der PE-ADC(2) Methode zur Berechnung von molekularen vertikalen Anregungsenergien in Lösung unter Verwendung des Post-SCF-Reaktionsfeldschemas wurde vorgestellt. Die analytischen Gradienten im angeregten Zustand wurden implementiert und die Relaxierungspfade von Berenil in DNA wurden untersucht. Zusätzlich wurde das polarizable embedding\textit {polarizable embedding} Modell erweitert um die Pauli exchange repulsion\textit {exchange repulsion} Effekte über eine Reihe Pseudopotentiale einzuschließen

    A Dempster-Shafer approach for recognizing machine features from CAD models

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    This paper introduces an evidentialreasoningS-EF# approach forrecogLESNj andextracting manufacturing features from solid model description of objects. A major di#culty faced by previously proposed methods for feature extraction has been the interaction between features due to non-uniqueness andambigj-SNjjj in feature representation. To overcome this di#culty, we introduce a Dempster--Shafer approach for gSx--#qSN andcombining gmbining andtopologL evidences to identify and extract interacting features

    A Research on the Coefficincy and Collaboration of Authors in the Journals of Islamic Law and Jourisprudence in Recent Five Years (from 1388 to 1393)

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    The purpose of this study is to evaluate the collaboration of authors in published articles in The Journal of Studies in Islamic Law & Jurisprudence, during 2009 â 2013. This study was conducted in Scientometric Method. Descriptive Statistics and data analysis have done by Excel Software. The results of this research show that 73 articles were published by 136 authors in this journal. From gender point of view, 9.6 % of authors were women and 90.4% were men. The finding of this research showed that The University of Mazandran with 11 articles is most prolific among other research institutes and scientific centers. The Universities of Tehran and Semnan, each by 8 articles, place in the 2nd and 3rd positions. Collaboration pattern of authors in this journal shows that the Journal tends to publish collaborative works. Only one article was published by a single author. The results showed that the collaboration coefficient was 0.4
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