• Title/Summary/Keyword: Basis sets

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GENERALIZED NET MODEL OF INTRANET IN AN ABSTRACT UNIVERSITY WITH CURRENT ESTIMATIONS (II)

  • Langova-Orozova Daniela;Sotirova Evdokia;Atanassov Krassimir;Melo-Pinto Pedro;Kim Taekyun;Park Dal-Won;Kim Yung-Hwan;Jang Lee-Chae;Kang Dong-Jin
    • Journal of the Korean Institute of Intelligent Systems
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    • v.15 no.3
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    • pp.382-388
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    • 2005
  • We apply estimations of the intuitionistic fuzzy sets on the basis of which some amendments nay be undertaken. In particular, this paper describes the process of working out a university classes schedule.

Optimal Design of Continuous Girders Considering Compact and Non-compact Cross-sections (연속보 주부재의 조밀 및 비조밀 단면 최적화 설계)

  • 국중식;신영석
    • Proceedings of the Computational Structural Engineering Institute Conference
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    • 1999.10a
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    • pp.143-150
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    • 1999
  • The LRFD Specification defines two sets of limiting width-to-thickness ratios. On the basis of these limiting values, steel sections we subdivided into three categories: compact, noncompact, and slender sections. A compact section is capable of developing a fully plastic stress distribution (plastic moment), and can sustain rotations approximately three times beyond the yield before the possibility of local buckling arises. Noncompact sections can develop the yield stress before local buckling occurs. They may not, however, resist local buckling at the strain levels required to develop the fully plastic stress distribution. In this paper, 1-Type girders of a 2 span continuous steel bridge are divided into compact and non-compact sections and analyzed. In the design process, an optimization skill was adopted and ADS, a Fortran program for Automated Design Synthesis, was used.

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The Formation of Jang Gyung Ak's Medical Concept - Focusing JunChoongrok - (장경악(張景岳) 의학사상(醫學思想)의 형성(形成) - 전충록(傳忠錄)을 중심(中心)으로 -)

  • Oh, Joong Wan;Kim, Nam il
    • The Journal of Korean Medical History
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    • v.15 no.1
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    • pp.183-198
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    • 2002
  • Jang Gyung Ak thought the Yang Gi was the basis of life. This is why he said doctors should emphasize on preserving Yang Gi. Before his emphasis on Yang Gi he had to study and criticize the medical concept of HaGan, DanGye and DongWon. By criticizing and overcoming their medical concept's fallacy and limitations, he made his own medicine. JangGyungAk found the importance of YangGi in the theory of changes. In the "the Book of Changes" it is said the rising movement of YangGi is expressed by recipricals and propels heaven and earth, yin and yang to change. The phenomenon of life is also a reciprocal and is lead by YangGi, and so medicine should value Yang Gi. Because the phenomenon of life is lead by this Yang Gi, it is right to base changes of diseases and organize pattern identification. The pattern identification JangGyungAk presented as two Gang six Byun sets its base on YangGi.

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Computational Study of the Molecular Structure, Vibrational Spectra and Energetics of the OIO Cation

  • Lee, Sang-Yeon
    • Bulletin of the Korean Chemical Society
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    • v.25 no.12
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    • pp.1855-1858
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    • 2004
  • Molecular geometries for the cationic and neutral species of OXO (X=Cl, Br, and I) are optimized using the Hartree-Fock (HF) theory, the second order Moller-Plesset perturbation theory (MP2), the density functional theory with the B3LYP hybrid functional (B3LYP), and the coupled cluster theory using single and double excitation with a perturbational treatment of triplet excitation (CCSD[T]) methods, with two basis sets of triple zeta plus polarization quality. The single point calculations for these species are performed at the CCSD(T,Full) level. The harmonic vibrational frequencies for these species are calculated at the HF, MP2, B3LYP and CCSD(T) levels. The adiabatic ionization potential for OIO is calculated to be 936.7 kJ/mol at the CCSD(T,Full) level and the correct value is estimated to be around 945.4 kJ/mol.

Multi-information fusion based localization algorithm for Mars rover

  • Jiang, Xiuqiang;Li, Shuang;Tao, Ting;Wang, Bingheng
    • Advances in aircraft and spacecraft science
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    • v.1 no.4
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    • pp.455-469
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    • 2014
  • High-precision autonomous localization technique is essential for future Mars rovers. This paper addresses an innovative integrated localization algorithm using a multiple information fusion approach. Firstly, the output of IMU is employed to construct the two-dimensional (2-D) dynamics equation of Mars rover. Secondly, radio beacon measurement and terrain image matching are considered as external measurements and included into the navigation filter to correct the inertial basis and drift. Then, extended Kalman filtering (EKF) algorithm is designed to estimate the position state of Mars rovers and suppress the measurement noise. Finally, the localization algorithm proposed in this paper is validated by computer simulation with different parameter sets.

Addition Reaction of Cyclopropane with Magnesium Dihydride (MgH2): A Theoretical Study

  • Singh, Satya Prakash;Meena, Jay Singh;Thankachan, Pompozhi Protasis
    • Journal of the Korean Chemical Society
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    • v.57 no.6
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    • pp.697-702
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    • 2013
  • The addition reaction of cyclopropane with $MgH_2$ has been investigated using the B3LYP density functional method employing several split-valence basis sets. Both along the and perpendicular to the cyclopropane ring approach has been reported. It is shown that the reaction proceeds via a four-centered transition state. Calculations at higher levels of theory were also performed at the geometries optimized at the B3LYP level, but only slight changes in the barriers were observed. Structural parameters for the transition state are also reported.

Classification of High Dimensionality Data through Feature Selection Using Markov Blanket

  • Lee, Junghye;Jun, Chi-Hyuck
    • Industrial Engineering and Management Systems
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    • v.14 no.2
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    • pp.210-219
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    • 2015
  • A classification task requires an exponentially growing amount of computation time and number of observations as the variable dimensionality increases. Thus, reducing the dimensionality of the data is essential when the number of observations is limited. Often, dimensionality reduction or feature selection leads to better classification performance than using the whole number of features. In this paper, we study the possibility of utilizing the Markov blanket discovery algorithm as a new feature selection method. The Markov blanket of a target variable is the minimal variable set for explaining the target variable on the basis of conditional independence of all the variables to be connected in a Bayesian network. We apply several Markov blanket discovery algorithms to some high-dimensional categorical and continuous data sets, and compare their classification performance with other feature selection methods using well-known classifiers.

Data Mining Approach for Real-Time Processing of Large Data Using Case-Based Reasoning : High-Risk Group Detection Data Warehouse for Patients with High Blood Pressure (사례기반추론을 이용한 대용량 데이터의 실시간 처리 방법론 : 고혈압 고위험군 관리를 위한 자기학습 시스템 프레임워크)

  • Park, Sung-Hyuk;Yang, Kun-Woo
    • Journal of Information Technology Services
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    • v.10 no.1
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    • pp.135-149
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    • 2011
  • In this paper, we propose the high-risk group detection model for patients with high blood pressure using case-based reasoning. The proposed model can be applied for public health maintenance organizations to effectively manage knowledge related to high blood pressure and efficiently allocate limited health care resources. Especially, the focus is on the development of the model that can handle constraints such as managing large volume of data, enabling the automatic learning to adapt to external environmental changes and operating the system on a real-time basis. Using real data collected from local public health centers, the optimal high-risk group detection model was derived incorporating optimal parameter sets. The results of the performance test for the model using test data show that the prediction accuracy of the proposed model is two times better than the natural risk of high blood pressure.

Identification of Regression Outliers Based on Clustering of LMS-residual Plots

  • Kim, Bu-Yong;Oh, Mi-Hyun
    • Communications for Statistical Applications and Methods
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    • v.11 no.3
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    • pp.485-494
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    • 2004
  • An algorithm is proposed to identify multiple outliers in linear regression. It is based on the clustering of residuals from the least median of squares estimation. A cut-height criterion for the hierarchical cluster tree is suggested, which yields the optimal clustering of the regression outliers. Comparisons of the effectiveness of the procedures are performed on the basis of the classic data and artificial data sets, and it is shown that the proposed algorithm is superior to the one that is based on the least squares estimation. In particular, the algorithm deals very well with the masking and swamping effects while the other does not.

All-Electron Relativistic SCF Calculations for Light Atoms and Diatomic Molecules; Correct Nonrelativistic Limit Calculations with a Relativistic Method

  • Baeck, Kyoung-Koo;Lee, Yoon-Sup
    • Bulletin of the Korean Chemical Society
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    • v.12 no.6
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    • pp.699-705
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    • 1991
  • Procedures to perform reliable relativistic self-consistent-field (RSCF) calculations are described. Using light atoms and molecules, it is demonstrated that the present method always yields correct nonrelativistic limit by employing a sufficiently large value for the speed of light in RSCF calculations. Many problems associated with analytic expansions of the Dirac equations can be computationally avoided by kinetically balancing the basis sets for large and small component spinors. Results of RSCF calculations for Ne, Kr, $H_2$, and LiH indicate very small relativistic effects for these systems as expected. Trends found is these molecules, however, may be useful in understanding relativistic effects for molecules with similar valence electronic structures and heavier atoms.