• Title/Summary/Keyword: 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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    • v.28 no.3
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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.

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

  • 윤석웅;유형선
    • The Journal of Society for e-Business Studies
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    • v.8 no.1
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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
    • Journal of the Korean Mathematical Society
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    • v.59 no.6
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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.

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

  • Choi, Won
    • Journal of Industrial Convergence
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    • v.1 no.2
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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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Low Space Complexity Bit-Parallel Shifted Polynomial Basis Multipliers using Irreducible Trinomials (삼항 기약다항식 기반의 저면적 Shifted Polynomial Basis 비트-병렬 곱셈기)

  • Chang, Nam-Su;Kim, Chang-Han
    • Journal of the Korea Institute of Information Security & Cryptology
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    • v.20 no.5
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    • pp.11-22
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    • 2010
  • Recently, Fan and Dai introduced a Shifted Polynomial Basis and construct a non-pipeline bit-parallel multiplier for $F_{2^n}$. As the name implies, the SPB is obtained by multiplying the polynomial basis 1, ${\alpha}$, ${\cdots}$, ${\alpha}^{n-1}$ by ${\alpha}^{-\upsilon}$. Therefore, it is easy to transform the elements PB and SPB representations. After, based on the Modified Shifted Polynomial Basis(MSPB), SPB bit-parallel Mastrovito type I and type II multipliers for all irreducible trinomials are presented. In this paper, we present a bit-parallel architecture to multiply in SPB. This multiplier have a space complexity efficient than all previously presented architecture when n ${\neq}$ 2k. The proposed multiplier has more efficient space complexity than the best-result when 1 ${\leq}$ k ${\leq}$ (n+1)/3. Also, when (n+2)/3 ${\leq}$ k < n/2 the proposed multiplier has more efficient space complexity than the best-result except for some cases.

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

  • Min, Joon-Young;Cho, Hyung-Ki
    • The Transactions of the Korea Information Processing Society
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    • v.4 no.7
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    • pp.1749-1758
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    • 1997
  • This paper suggests the development of dynamic forecasting model for short-term power demand based on Radial Basis Function Network and Pal's GLVQ algorithm. Radial Basis Function methods are often compared with the backpropagation training, feed-forward network, which is the most widely used neural network paradigm. The Radial Basis Function Network is a single hidden layer feed-forward neural network. Each node of the hidden layer has a parameter vector called center. This center is determined by clustering algorithm. Theatments of classical approached to clustering methods include theories by Hartigan(K-means algorithm), Kohonen(Self Organized Feature Maps %3A SOFM and Learning Vector Quantization %3A LVQ model), Carpenter and Grossberg(ART-2 model). In this model, the first approach organizes the load pattern into two clusters by Pal's GLVQ clustering algorithm. The reason of using GLVQ algorithm in this model is that GLVQ algorithm can classify the patterns better than other algorithms. And the second approach forecasts hourly load patterns by radial basis function network which has been constructed two hidden nodes. These nodes are determined from the cluster centers of the GLVQ in first step. This model was applied to forecast the hourly loads on Mar. $4^{th},\;Jun.\;4^{th},\;Jul.\;4^{th},\;Sep.\;4^{th},\;Nov.\;4^{th},$ 1995, after having trained the data for the days from Mar. $1^{th}\;to\;3^{th},\;from\;Jun.\;1^{th}\;to\;3^{th},\;from\;Jul.\;1^{th}\;to\;3^{th},\;from\;Sep.\;1^{th}\;to\;3^{th},\;and\;from\;Nov.\;1^{th}\;to\;3^{th},$ 1995, respectively. In the experiments, the average absolute errors of one-hour ahead forecasts on utility actual data are shown to be 1.3795%.

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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.

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

  • Kim, Jai-Myong;Lee, Kyu-Ho;Kim, Jong-Seob;Kim, Kuinam J.
    • Convergence Security Journal
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    • v.1 no.1
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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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