• 제목/요약/키워드: 1-Basis

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MP2 Basis Set Limit Binding Energy Estimates of Hydrogen-bonded Complexes from Extrapolation-oriented Basis Sets

  • Park, Young-Choon;Lee, Jae-Shin
    • Bulletin of the Korean Chemical Society
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    • 제28권3호
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    • pp.386-390
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    • 2007
  • By use of a simple two-point extrapolation scheme estimating the correlation energies of the molecules along with the basis sets specifically targeted for extrapolation, we have shown that the MP2 basis set limit binding energies of large hydrogen-bonded complexes can be accurately predicted with relatively small amount of computational cost. The basis sets employed for computation and extrapolation consist of the smallest correlation consistent basis set cc-pVDZ and another basis set made of the cc-pVDZ set plus highest angular momentum polarization functions from the cc-pVTZ set, both of which were then augmented by diffuse functions centered on the heavy atoms except hydrogen in the complex. The correlation energy extrapolation formula takes the (X+1)-3 form with X corresponding to 2.0 for the cc-pVDZ set and 2.3 for the other basis set. The estimated MP2 basis set limit binding energies for water hexamer, hydrogen fluoride pentamer, alaninewater, phenol-water, and guanine-cytosine base pair complexes of nucleic acid by this method are 45.2(45.9), 36.1(37.5), 10.9(10.7), 7.1(6.9), and 27.6(27.7) kcal/mol, respectively, with the values in parentheses representing the reference basis set limit values. A comparison with the DFT results by B3LYP method clearly manifests the effectiveness and accuracy of this method in the study of large hydrogen-bonded complexes.

최적 정규기저를 이용한 효율적인 역수연산 알고리즘에 관한 연구 (An Efficient Algorithm for Computing Multiplicative Inverses in GF($2^m$) Using Optimal Normal Bases)

  • 윤석웅;유형선
    • 한국전자거래학회지
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    • 제8권1호
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    • pp.113-119
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    • 2003
  • This paper proposes a new multiplicative inverse algorithm for the Galois field GF (2/sup m/) whose elements are represented by optimal normal basis type Ⅱ. One advantage of the normal basis is that the squaring of an element is computed by a cyclic shift of the binary representation. A normal basis element is always possible to rewrite canonical basis form. The proposed algorithm combines normal basis and canonical basis. The new algorithm is more suitable for implementation than conventional algorithm.

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ON PAIRWISE GAUSSIAN BASES AND LLL ALGORITHM FOR THREE DIMENSIONAL LATTICES

  • Kim, Kitae;Lee, Hyang-Sook;Lim, Seongan;Park, Jeongeun;Yie, Ikkwon
    • 대한수학회지
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    • 제59권6호
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    • pp.1047-1065
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    • 2022
  • For two dimensional lattices, a Gaussian basis achieves all two successive minima. For dimension larger than two, constructing a pairwise Gaussian basis is useful to compute short vectors of the lattice. For three dimensional lattices, Semaev showed that one can convert a pairwise Gaussian basis to a basis achieving all three successive minima by one simple reduction. A pairwise Gaussian basis can be obtained from a given basis by executing Gauss algorithm for each pair of basis vectors repeatedly until it returns a pairwise Gaussian basis. In this article, we prove a necessary and sufficient condition for a pairwise Gaussian basis to achieve the first k successive minima for three dimensional lattices for each k ∈ {1, 2, 3} by modifying Semaev's condition. Our condition directly checks whether a pairwise Gaussian basis contains the first k shortest independent vectors for three dimensional lattices. LLL is the most basic lattice basis reduction algorithm and we study how to use LLL to compute a pairwise Gaussian basis. For δ ≥ 0.9, we prove that LLL(δ) with an additional simple reduction turns any basis for a three dimensional lattice into a pairwise SV-reduced basis. By using this, we convert an LLL reduced basis to a pairwise Gaussian basis in a few simple reductions. Our result suggests that the LLL algorithm is quite effective to compute a basis with all three successive minima for three dimensional lattices.

세법상 현금주의 도입의 필요성에 관한 연구 (A study on the necessity for using the method of cash basis accounting on taxation.)

  • 최원
    • 산업융합연구
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    • 제1권2호
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    • pp.173-191
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    • 2003
  • Usually there are two ways in the method of accounting on tax purpose. One is the method of accrual basis accounting, the other is the method of cash basis accounting. Accrual basis accounting is used broadly not only in financial purpose, but also tax purpose. But, that method is not fit at some special case. For example, lawyer, bank, consulting, small business would like to use the method of cash basis accounting because it is more convenient in book-keeping than the method of accrual basis. I insist on regulating this cash basis accounting.

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삼항 기약다항식 기반의 저면적 Shifted Polynomial Basis 비트-병렬 곱셈기 (Low Space Complexity Bit-Parallel Shifted Polynomial Basis Multipliers using Irreducible Trinomials)

  • 장남수;김창한
    • 정보보호학회논문지
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    • 제20권5호
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    • pp.11-22
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    • 2010
  • 최근 Fan과 Dai는 이진체 곱셈기의 효율성을 개선하기 위하여 Shifted Polynomial Basis(SPB)를 제안하고 이를 이용한 non-pipeline 비트-병렬 곱셈기를 제안하였다. SPB는 PB에 {1, ${\alpha}$, $\cdots$, ${\alpha}^{n-l}$}에 ${\alpha}^{-\upsilon}$를 곱한 것으로, 이 둘 사이는 매우 적은 비용으로 쉽게 기저 변환이 된다. 이후 삼항 기약다항식 $f(x)=x^n+x^k+1$을 사용하여 Modified Shifted Polynomial Basis(MSPB) 기반의 SPB 비트-병렬 Mastrovito type I과 type II 곱셈기가 제안되었다. 본 논문에서는 SPB를 이용한 비트-병렬 곱셈기를 제안한다. n ${\neq}$ 2k 일 때 제안하는 곱셈기 구조는 기존의 모든 SPB 곱셈기와 비교하여 효율적인 공간 복잡도를 가진다. 또한, 기존의 가장 작은 공간 복잡도를 가지는 곱셈기와 비교하여 1 ${\leq}$ k ${\leq}$ (n+1)/3인 경우 항상 효율적이다. 또한, (n+2)/3 $\leq$ k < n/2인 경우에도 일분 경우를 제외하고 기존 결과보다 항상 작은 공간 복잡도를 가진다.

Radial Basis 함수를 이용한 동적 - 단기 전력수요예측 모형의 개발 (The Development of Dynamic Forecasting Model for Short Term Power Demand using Radial Basis Function Network)

  • 민준영;조형기
    • 한국정보처리학회논문지
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    • 제4권7호
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    • pp.1749-1758
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    • 1997
  • 전력수요의 예측은 예측기간에 따라 중장기 전력수요 예측과 단기 부하 예측으로 구분할 수 있다. 기존의 단기 부하예측은 주로 역전파 알고리즘(back propagation algorithm)다층퍼셉트론을 이용하여 예측을 하였으나 이는 학습시간이 많이 걸릴 뿐만 아니라 학습도중에 지역최소점(local minima)에 빠져 학습이 계속되지 못한다는 문제가 있다. 본 논문은 이러한 역전파 알고리즘의 문제점을 해결할 수 있는 방법으로 Radial Basis 함수(Radial Basis Function)를 이용하여 동적 단기부하 예측 모형을 제안한다. Radial Basis 함수는 하나의 은닉층(hidden layer)을 갖고 있으며, 전방향(feed-forward)학습을 한다는 특징이 있다. 본 논문에서 제안한 단기 부하 예측모형은 학습을 하기 위하여 시간대별 부하량을 클러스터링 하고, 이 클러스터의 중심값을 Radial Basis 함수의 은닉층으로 하여 학습을 한 다음 예측하고자 하는 패턴을 한 단위로 하여 시단대별로 예측하였다. 기존의 연구에서의 클러스터링 방법으로는 통계학의 K-Means 방법이나 Kohonen의 LVQ(Learning Vector Quantization)을 주로 이용하였으나 본 논문에서는 패턴의 분류에 있어서 다른 알고리즘보다 편차가 작은 Pal, et. al.의 GLVQ(Generalized LVQ) 알고리즘을 이용하였다. 본 논문에서 이용한 데이타는 1995년 3월 1일-3일, 6월 1일-3일, 7월 1일-3일, 9월 1일-3일, 11월 1일-3일의 72시간 데이타를 입력하여 월별 4일의 24시간의 예측시간으로 예측하였다. 실험결과 월별 1일과 3일까지의 학습데이타로 1시간 후의 부하량을 24시간동안 예측한 결과 1.3795%의 평균 오차율로 예측하였다.

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Comparison Chosen DFT Methods with Six Basis Sets on Harmine Molecule

  • Malekzadeh, Maryam;Heshmati, Emran
    • 대한화학회지
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    • 제57권1호
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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.

Optimizing Intrusion Detection Pattern Model for Improving Network-based IDS Detection Efficiency

  • Kim, Jai-Myong;Lee, Kyu-Ho;Kim, Jong-Seob;Kim, Kuinam J.
    • 융합보안논문지
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    • 제1권1호
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    • pp.37-45
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    • 2001
  • In this paper, separated and optimized pattern database model is proposed. In order to improve efficiency of Network-based IDS, pattern database is classified by proper basis. Classification basis is decided by the specific Intrusions validity on specific target. Using this model, IDS searches only valid patterns in pattern database on each captured packets. In result, IDS can reduce system resources for searching pattern database. So, IDS can analyze more packets on the network. In this paper, proper classification basis is proposed and pattern database classified by that basis is formed. And its performance is verified by experimental results.

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