• 제목/요약/키워드: Density function theory

검색결과 196건 처리시간 0.015초

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

  • Jeon, Kiyoung;Yang, Mino
    • 대한화학회지
    • /
    • 제60권6호
    • /
    • pp.410-414
    • /
    • 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.

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

  • 양철수
    • 대한교통학회지
    • /
    • 제29권3호
    • /
    • pp.83-91
    • /
    • 2011
  • 이 논문은 확률론적인 방법을 이용하여 동적 통행시간(dynamic travel time) 모형을 도출한다. 동적 통행시간 모형은 차량의 통행시간은 도로 공간상에서의 교통흐름 분포에 따라, 또는 통행구간 출발점에서 시간에 대한 교통흐름의 분포에 따라 결정된다고 가정하여 얻어진다. 이 모형들에서 교통흐름의 분포가 차량의 통행시간에 미치는 정도를 나타내는 확률밀도함수(probability density function)는 여러 가지 형태의 도입될 수 있으나 지수분포를 따른다고 가정한다.

Direct Nonparametric Estimation of State Price Density with Regularized Mixture

  • Jeon, Yong-Ho
    • 응용통계연구
    • /
    • 제24권4호
    • /
    • pp.721-733
    • /
    • 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.

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

  • 우경일
    • 조명전기설비학회논문지
    • /
    • 제25권7호
    • /
    • pp.26-31
    • /
    • 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
    • 대한수학회논문집
    • /
    • 제33권4호
    • /
    • pp.1367-1376
    • /
    • 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.

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

  • 김웅명;이현수
    • 정보처리학회논문지B
    • /
    • 제13B권1호
    • /
    • pp.27-34
    • /
    • 2006
  • 본 연구에서는 엔트로피를 이용한 독립성분분석(ICA : Independent Component Analysis)에서 점수함수(score function)를 생성하는 알고리즘을 제안한다. 점수함수를 생성하기 위해서 원 신호(original signals)에 대한 확률밀도함수의 추정이 반드시 필요하고 밀도함수가 미분 가능해야 한다. 따라서 원 신호에 따른 적응적인 점수 함수를 유도할 수 있도록 커널 기반의 밀도추정(kernel density estimation)방법을 사용하였으며, 보다 빠른 밀도 추정 계산을 위해서 식의 형태를 컨볼루션(convolution) 변환 한 후, 컨볼루션을 빠르게 계산할 수 있는 FFT(Fast Fourier Transform) 알고리즘을 이용하였다. 제안한 점수함수 생성 방법은 원 신호에 확률밀도분포와 추정된 신호의 확률밀도 분포의 오차를 줄이는 역할을 한다 실험 결과, 암묵신호분리(blind source separation)문제에서 기존의 Extended Infomax 알고리즘과 Fixed Point ICA 보다 원 신호와 유사한 밀도함수를 추정하였고, 분리된 신호의 신호대잡음비등(SNR)에 있어서 향상된 성능을 얻을 수 있었다.

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

  • LEE JOUNGHUN
    • 천문학회지
    • /
    • 제38권2호
    • /
    • pp.161-164
    • /
    • 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
    • /
    • 제21권2호
    • /
    • pp.183-191
    • /
    • 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
    • /
    • 제13권4호
    • /
    • pp.552-557
    • /
    • 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.