• Title/Summary/Keyword: Density function theory

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Density Functional Theory for Calculating the OH Stretching Frequency of Water Molecules

  • Jeon, Kiyoung;Yang, Mino
    • Journal of the Korean Chemical Society
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    • v.60 no.6
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    • pp.410-414
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    • 2016
  • The anharmonic frequency of a local OH stretching mode of a water monomer and dimer was calculated using various levels of density functional theory. The quantum chemical potential energy curves as a function of the OH bond distance were calculated, and they were fitted with the Morse potential function to analytically obtain the fundamental transition frequency. By comparing those values with the frequencies similarly calculated using an ab initio quantum chemical method, the coupled cluster theory including both single and double excitations with the perturbative inclusion of triple excitation in the complete basis limit, the accuracy of various density functional methods in the calculation of anharmonic vibration frequency of water molecules was assessed. For a water monomer, X3LYP and B3LYP methods give the best accuracy, whereas for a water dimer, B972, LCBLYP, ${\omega}B97X$, ${\omega}B97$ methods show the best performance.

Development of Probability Theory based Dynamic Travel Time Models (확률론적 이론에 기초한 동적 통행시간 모형 정립)

  • Yang, Chul-Su
    • Journal of Korean Society of Transportation
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    • v.29 no.3
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    • pp.83-91
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    • 2011
  • This paper discusses models for estimating dynamic travel times based on probability theory. The dynamic travel time models proposed in the paper are formulated assuming that the travel time of a vehicle depends on the distribution of the traffic stream condition with respect to the location along a road when the subject vehicle enters the starting point of a travel distance or with respect to the time at the starting point of a travel distance. The models also assume that the dynamic traffic flow can be represented as an exponential distribution function among other types of probability density functions.

Direct Nonparametric Estimation of State Price Density with Regularized Mixture

  • Jeon, Yong-Ho
    • The Korean Journal of Applied Statistics
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    • v.24 no.4
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    • pp.721-733
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    • 2011
  • We consider the state price densities that are implicit in financial asset prices. In the pricing of an option, the state price density is proportional to the second derivative of the option pricing function and this relationship together with no arbitrage principle imposes restrictions on the pricing function such as monotonicity and convexity. Since the state price density is a proper density function and most of the shape constraints are caused by this, we propose to estimate the state price density directly by specifying candidate densities in a flexible nonparametric way and applying methods of regularization under extra constraints. The problem is easy to solve and the resulting state price density estimates satisfy all the restrictions required by economic theory.

Torque Characteristics Analysis of Synchronous Reluctance Motor by Winding Function Theory (Winding Function 이론을 이용한 동기형 릴럭턴스 전동기의 토크 특성 해석)

  • Woo, Kyung-Il
    • Journal of the Korean Institute of Illuminating and Electrical Installation Engineers
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    • v.25 no.7
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    • pp.26-31
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    • 2011
  • In this paper, torque characteristics analysis of Synchronous Reluctance Motor with the cylindrical rotor type by winding function theory(WFT) is described. The stator is same as one of the induction motor. From the d-axis, q-axis flux density distribution, to calculate self and mutual inductances needed to calculate the torque of the machine by using winding function theory the new equivalent geometry of rotor was proposed. D-axis, q-axis flux densities, self inductance and torque characteristics were obtained. From the comparison with results of finite element analysis the proposed method was verified.

DENSITY SMOOTHNESS PARAMETER ESTIMATION WITH SOME ADDITIVE NOISES

  • Zhao, Junjian;Zhuang, Zhitao
    • Communications of the Korean Mathematical Society
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    • v.33 no.4
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    • pp.1367-1376
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    • 2018
  • In practice, the density function of a random variable X is always unknown. Even its smoothness parameter is unknown to us. In this paper, we will consider a density smoothness parameter estimation problem via wavelet theory. The smoothness parameter is defined in the sense of equivalent Besov norms. It is well-known that it is almost impossible to estimate this kind of parameter in general case. But it becomes possible when we add some conditions (to our proof, we can not remove them) to the density function. Besides, the density function contains impurities. It is covered by some additive noises, which is the key point we want to show in this paper.

An Algorithm of Score Function Generation using Convolution-FFT in Independent Component Analysis (독립성분분석에서 Convolution-FFT을 이용한 효율적인 점수함수의 생성 알고리즘)

  • Kim Woong-Myung;Lee Hyon-Soo
    • The KIPS Transactions:PartB
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    • v.13B no.1 s.104
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    • pp.27-34
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    • 2006
  • In this study, we propose this new algorithm that generates score function in ICA(Independent Component Analysis) using entropy theory. To generate score function, estimation of probability density function about original signals are certainly necessary and density function should be differentiated. Therefore, we used kernel density estimation method in order to derive differential equation of score function by original signal. After changing formula to convolution form to increase speed of density estimation, we used FFT algorithm that can calculate convolution faster. Proposed score function generation method reduces the errors, it is density difference of recovered signals and originals signals. In the result of computer simulation, we estimate density function more similar to original signals compared with Extended Infomax and Fixed Point ICA in blind source separation problem and get improved performance at the SNR(Signal to Noise Ratio) between recovered signals and original signal.

FORMALISM FOR THE SUBHALO MASS FUNCTION IN THE TIDAL-LIMIT APPROXIMATION

  • LEE JOUNGHUN
    • Journal of The Korean Astronomical Society
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    • v.38 no.2
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    • pp.161-164
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    • 2005
  • We present a theoretical formalism by which the global and the local mass functions of dark matter substructures (dark subhalos) can be analytically estimated. The global subhalo mass function is defined to give the total number density of dark subhalos in the universe as a function of mass, while the local subhalo mass function counts only those sub halos included in one individual host halo. We develop our formalism by modifying the Press-Schechter theory to incorporate the followings: (i) the internal structure of dark halos; (ii) the correlations between the halos and the subhalos; (iii) the subhalo mass-loss effect driven by the tidal forces. We find that the resulting (cumulative) subhalo mass function is close to a power law with the slope of ${\~}$ -1, that the subhalos contribute approximately $10\%$ of the total mass, and that the tidal stripping effect changes the subhalo mass function self-similarly, all consistent with recent numerical detections.

A Clarification of the Cauchy Distribution

  • Lee, Hwi-Young;Park, Hyoung-Jin;Kim, Hyoung-Moon
    • Communications for Statistical Applications and Methods
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    • v.21 no.2
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    • pp.183-191
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    • 2014
  • We define a multivariate Cauchy distribution using a probability density function; subsequently, a Ferguson's definition of a multivariate Cauchy distribution can be viewed as a characterization theorem using the characteristic function approach. To clarify this characterization theorem, we construct two dependent Cauchy random variables, but their sum is not Cauchy distributed. In doing so the proofs depend on the characteristic function, but we use the cumulative distribution function to obtain the exact density of their sum. The derivation methods are relatively straightforward and appropriate for graduate level statistics theory courses.

Calculation of Distributed Magnetic Flux Density under the Stator-Turn Fault Condition

  • Kim, Kyung-Tae;Hur, Jin;Kim, Byeong-Woo
    • Journal of Power Electronics
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    • v.13 no.4
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    • pp.552-557
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    • 2013
  • This paper proposed an analytical model for the distributed magnetic field analysis of interior permanent magnet-type blush-less direct current motors under the stator-turn fault condition using the winding function theory. Stator-turn faults cause significant changes in electric and magnetic characteristic. Therefore, many studies on stator-turn faults have been performed by simulation of the finite element method because of its non-linear characteristic. However, this is difficult to apply to on-line fault detection systems because the processing time of the finite element method is very long. Fault-tolerant control systems require diagnostic methods that have simple processing systems and can produce accurate information. Thus analytical modeling of a stator-turn fault has been performed using the winding function theory, and the distributed magnetic characteristics have been analyzed under the fault condition. The proposed analytical model was verified using the finite element method.