• Title/Summary/Keyword: Basis Set

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Calculation of the Dipole Moment for Octahedral [Co(III)-$O_3N_3$], Tetrahedral [M(II)-$O_2N_2$] and Square Planner [M(II)-$O_2N_2$] Type Complexes [M(II) = Ni(II) or Cu(II)] (정팔면체 [Co(III)-$O_3N_3$], 정사면체 [M(II)-$O_2N_2$] 및 정사각형 [M(II)-$O_2N_2$] 형태 착물의 쌍극자모멘트의 계산 [M(II) = Ni(II) 또는 Cu(II)])

  • Ahn Sang Woon
    • Journal of the Korean Chemical Society
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    • v.22 no.5
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    • pp.295-303
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    • 1978
  • The dipole moments for octahedral [Co(III)-$O_3N_3$], tetrahedral [M(II)-$O_2N_2$] and square planar [M(II)-$O_2N_2$] types complexes are calculated by the expansion method for spherical harmonics using the valence basis sets for the central metal ion and the single basis set orbital ($2p_z$) for ligands. The calculated dipole moments for these complexes are in agreement with the experimental values.

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Comparison Chosen DFT Methods with Six Basis Sets on Harmine Molecule

  • Malekzadeh, Maryam;Heshmati, Emran
    • Journal of the Korean Chemical Society
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    • v.57 no.1
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    • pp.20-24
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    • 2013
  • The effect of the DFT methods and basis sets on harmine molecule has been investigated. 26 DFT methods with 6 basis sets were used. Two main comparison chosen DFT methods in this work has been investigated. It is concluded that this contribution is very important and cannot be neglected. In the following analysis, changes in energy levels were investigated by two different methods. Considering a specific basis set, changes in energy levels were obtained using different DFT methods. A specific DFT method is chosen and changes in energy levels have been investigated by means of various basis sets. Effect of the choice of basis sets on geometrical parameters on harmine molecule has also been investigated.

Improved Sentence Boundary Detection Method for Web Documents (웹 문서를 위한 개선된 문장경계인식 방법)

  • Lee, Chung-Hee;Jang, Myung-Gil;Seo, Young-Hoon
    • Journal of KIISE:Software and Applications
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    • v.37 no.6
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    • pp.455-463
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    • 2010
  • In this paper, we present an approach to sentence boundary detection for web documents that builds on statistical-based methods and uses rule-based correction. The proposed system uses the classification model learned offline using a training set of human-labeled web documents. The web documents have many word-spacing errors and frequently no punctuation mark that indicates the end of sentence boundary. As sentence boundary candidates, the proposed method considers every Ending Eomis as well as punctuation marks. We optimize engine performance by selecting the best feature, the best training data, and the best classification algorithm. For evaluation, we made two test sets; Set1 consisting of articles and blog documents and Set2 of web community documents. We use F-measure to compare results on a large variety of tasks, Detecting only periods as sentence boundary, our basis engine showed 96.5% in Set1 and 56.7% in Set2. We improved our basis engine by adapting features and the boundary search algorithm. For the final evaluation, we compared our adaptation engine with our basis engine in Set2. As a result, the adaptation engine obtained improvements over the basis engine by 39.6%. We proved the effectiveness of the proposed method in sentence boundary detection.

Identification of System from Generalized Orthogonal Basis Function Expansions

  • Bae, Chul-Min;Wada, Kiyoshi
    • 제어로봇시스템학회:학술대회논문집
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    • 2001.10a
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    • pp.26.1-26
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    • 2001
  • In this paper, we will expand and generalize the orthogonal functions as basis functions for dynamical system representations. The orthogonal functions can be considered as generalizations of, for example, the pulse functions, Laguerre functions, and Kautz functions, and give rise to an alternative series expansion of rational transfer functions. It is shown row we can exploit these generalized basis functions to increase the speed of convergence in a series expansion. The set of Kautz functions is discussed in detail and, using the power-series equivalence, the truncation error is obtained. And so we will present the influence of noises to use Kautz function on the identification accuracy.

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A Robust Learning Algorithm for System Identification (외란을 포함한 학습 데이터에 강인한 시스템 모델링)

  • 한상현;윤중선
    • 제어로봇시스템학회:학술대회논문집
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    • 2000.10a
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    • pp.200-200
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    • 2000
  • Highly nonlinear dynamical systems are easily identified using neural networks. When disturbances are included in the learning data set Int system modeling, modeling process will be poorly performed. Since the radial basis functions in the radial basis function network(RBFN) are centered at the points specified by the weights, RBF networks are robust for approximating the process including the narrow-band disturbances deviating significantly from the regular signals. To exclude(filter) these disturbances, a robust algorithm for system identification, based on the RBFN, is proposed. The performance of system identification excluding disturbances is investigated and compared with the one including disturbances.

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Calculation of the Dipole Moments for Transition Metal Complexes by Valence Bond Method (I). Calculation of the Dipole Moments for Octahedral $[M(III)O_3S_3]$ Type Complexes [M(III) = V(III), Cr(III), Mn(III), Fe(III), Co(III), Ru(III), Rh(III) and Os(III)] (원자가 결합법에 의한 전이원소 착물에 대한 쌍극자모멘트의 계산 (제1보). 팔면체 $[M(III)O_3S_3]$ 형태 착물의 쌍극자모멘트의 계산 [M(III) = V(III), Cr(III), Mn(III), Fe(III), Co(III), Ru(III), Rh(III) 및 Os(III)])

  • Sangwoon Ahn;Jeoung Soo Ko
    • Journal of the Korean Chemical Society
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    • v.23 no.4
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    • pp.198-205
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    • 1979
  • A valence bond method of calculation of the dipole moments for octahedral $(M(III)0_3S_3)$ type complexes are developed, using $d^2sp^3 $hybrid orbitals of the central metal ions and the single basis set orbital of ligands. (M (III) =V (III), Cr (III), Mn (III), Fe (III), Co (III), Ru (III), Rh (III) and OS (III)). In this method the mixing coefficient of the valence basis sets for the central metal ion with the appropriate ligand orbitals is not required to be the same, differently from the molecular orbital method. The valence bond method is much more easier to calculate the dipole moments for octahedral complexes than the approximate molecular orbital method and the calculated results are also in the range of the experimental vaues.

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Subspace Method Based Preceding for Spatial Multiplexing with Limited Feedback (제한된 피드백 정보를 사용하는 공간 다중화를 위한 부 공간 방식 기반 Precoding 기법)

  • Mun Cheol;Seo Jeong-Tae
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.30 no.10A
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    • pp.906-911
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    • 2005
  • In this paper, for spatial multiplexing with limited feedback, we propose subspace method based preceding in which the active bases are selected at the receiver from a finite number of basis sets Down at both receiving and transmitting ends, conveyed to the transmitter using limited feedback, and assembled into a preceding matrix at the transmitter. The selected bases are conveyed to the transmitter using feedback information on both the index of the selected basis set, which defines the most appropriate set of coordinates for describing a multiple-input multiple-output (MIMO) channel, and the principal bases maximizing the capacity in the selected basis set. We show that the proposed subspace method based preceding provides a capacity similar to that of the closed-loop MIMO even with limited feedback.

Subspace Method Based Precoding for MIMO Spatial Multiplexing (공간 다중화를 위한 부 공간 방식 Precoding 기법)

  • Mun Cheol;Jung Chang-Kyoo;Park DongHee;Kwak Yoonsik
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.9 no.6
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    • pp.1161-1166
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    • 2005
  • In this paper, for spatial multiplexing with limited feedback, we propose subspace based precoding in which the active bases are selected at the receiver from a finite number of basis sets known at both receiving and transmitting ends, conveyed to the transmitter using limited feedback, and assembled into a preceding matrix at the transmitter. The selected bases are conveyed to the transmitter using feedback information on both the index of a basis set, which indicates the most appropriate set of coordinates for describing a MIMO channel, and the active bases having the significant amounts of energy in the selected basis set. We show that the proposed subspace based precoding provides capacity similar to that of the closed-loop MIMO even with limited feedback.