• Kyungpook Mathematical Journal
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• 제63권1호
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• pp.123-129
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• 2023

For an ordered set W = {w₁, w₂, . . . , w_k} of vertices and a vertex v in a connected graph G, the k-vector r(v|W) = (d(v, w₁), d(v, w₂), . . . , d(v, w_k)) is called the metric representation of v with respect to W, where d(x, y) is the distance between the vertices x and y. A set W is called a resolving set for G if distinct vertices of G have distinct metric representations with respect to W. The minimum cardinality of a resolving set for G is its metric dimension dim(G), and a resolving set of minimum cardinality is a basis of G. The corona product, G ⊙ H of graphs G and H is obtained by taking one copy of G and n(G) copies of H, and by joining each vertex of the ith copy of H to the ith vertex of G. In this paper, we obtain bounds for dim(G ⊙ K₁), characterize all graphs G with dim(G ⊙ K₁) = dim(G), and prove that dim(G ⊙ K₁) = n - 1 if and only if G is the complete graph K_n or the star graph K_1,n-1.

• Bulletin of the Korean Chemical Society
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• 제31권8호
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• pp.2228-2234
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• 2010

Theoretical studies have been performed to study the binding characteristics of the alkali metal iodides, M-I (M = Li, Na, K), to poly(ethylene oxide) (PEO, I), poly(ethylene amine) (PEA, II) and poly(ethylene N-methylamine) (PEMA, III) via the B3LYP method. In this study, two types of complexes, singly-coordinated systems (SCS) and doubly-coordinated systems (DCS), were considered, and dissociation energies (${\Delta}E_D$) were calculated both with and without basis set superposition error (BSSE). Two types of counterpoise (CP) approach were investigated in this work, but the ${\Delta}E_D$ values corrected by using the function CP (fCP) correction exhibited an unusual trend in some cases due to deformation of the sub-units. This problem was solved by including geometry relaxation in the CP-corrected (GCP) interaction energy. On the other hand, the effects of the BSSE on the structures were very small when the complexes were re-optimized on the CP-corrected (RCP) potential energy surface (PES), even if the bond lengths between X and $M^+$ ($d_{{X-M}^+}$) and between $M^+$ and $I^-$ ($d_{M^+-I^-}$) were slightly lengthened. Therefore, neither the GCP nor RCP corrections made much difference to the dissociation energies.

• 한국소음진동공학회:학술대회논문집
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• 한국소음진동공학회 2001년도 춘계학술대회논문집
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• pp.869-874
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• 2001

In order that precision equipment using high precision industrial operate normally. vibration criteria of expected area that equipment be set up is micrometer level. that method is a trust design for apply to in field, when there attend to quantifiable method. Hence, semi -empirical method that using on the basis of experimental data about undefined information (properities of vibration source, dynamic properities of structure, etc.,) for prediction of vibration response make the use of dynamic structure design of semiconductor ＆ TFT-LCD in the inside and outside country. Like this, for doing an optimal design of dynamic about structure, it is best important to get trust data that apply to semi-empirical method that is method of prediction vibration level. In this paper, on the basis of experimental data which was offered by a manufacturing company Of precisin equipment that plan to set up in semiconductor factory, we predicted vibration response on expected area that equipment be set up.

• Bulletin of the Korean Chemical Society
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• 제31권10호
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• pp.2806-2808
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• 2010

The structure of 3-aminophenol $(CO_2)_1$ cluster was computationally studied both in the ground and the lowest singlet excited electronic states. The ground state structure and binding energy of the cluster was investigated using the second-order M$\ddoot{o}$ller-Plesset perturbation theory (MP2) at the complete basis set (CBS) limit. The excited state geometry of the cluster was obtained at the second-order approximate coupled cluster (CC2) level with cc-pVDZ basis set, and the $S_0-S_1$ absorption spectrum was simulated by calculating Franck-Condon overlap integral. The ground state geometry of the global minimum with a very high binding energy of 4.3 kcal/mol was found for the cluster, due to the interaction between amino group and $CO_2$ in addition to the strong $\pi-\pi$ interaction between the aromatic ring and $CO_2$. The excited state geometry shows a very big shift in the position of $CO_2$ compared to the ground state geometry, which results in low intensity and broad envelope in the Franck-Condon simulation.

• Journal of the Korean Data and Information Science Society
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• 제23권3호
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• pp.487-494
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• 2012

본 논문은 고정효과모형의 모수추정과 관련된 추정가능함수를 다루고 있다. 고정효과모형에서 추정가능한 모수들의 함수를 구하기 위한 방법으로 가우스-조르단 방법을 이용하고 있다. 이 방법으로 구해진 추정가능함수의 일반형을 이용하여 추정가능함수들의 한 기저집합을 구성하는 문제를 다루고 있다. 또한, 추정가능함수들로 구성된 한 기저집합을 모수벡터로 갖는 모형은 완전계수의 열행렬을 모형행렬로 갖는 모형으로 효과모형과 동치인 모형임을 보여주고 있다. 두 모형에서의 사영행렬들은 동일공간으로의 사영을 나타내므로 총변동량은 변함이 없으나 사영행렬에 따른 자유도 1인 고유벡터로의 변동량은 달라질 수 있음을 논의하고 있다.

• Bulletin of the Korean Chemical Society
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• 제9권3호
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• pp.153-156
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• 1988

Ab initio calculations are performed for $ArCO_2^+$ and $ArCO_2$. Between the two configurations of $ArCO_2^+$ the orbital interactions and the higher order correlation calculations favor the T-shape, and their interaction energies are calculated to be approximately half the experimental values using 6-31G$^{\ast}$ basis set. In $ArCO_2$, the calculations qualitatively favor the T-structure, which is compatible with the experiment. However, the true interaction energy is obscured since it is within the BSSE limit at this basis set size and the correlation level. Addition of sp type diffuse functions increase the interaction energies by a considerable amount, but the BSSE estimated by CP method are responsible for the significant portion of the difference. The possible equilibrium structure of the $Ar^+-CO_2$ complex, where the charge is localized on Ar, is suggested as having a linear structure. The potential energy surface and the amount of charge transfer are shown to be sensitive to the type and balancing of basis set.

• Bulletin of the Korean Chemical Society
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• 제23권9호
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• pp.1267-1271
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• 2002

The conformation dependences of basis set superposition errors (BSSE) for 1,2-difluoroethane (DFE) and 1,2-dimethoxyethane (DME) molecules have been estimated using counterpoise method at the Moller-Plesset second order perturbation (MP2) level of theory with various basis sets, assuming that all BSSE dependences on conformations are due to the change in CC bond. The BSSE on the energy differences between eclipsed and gauche forms of DFE are in the range of 0.2-1.2 kcal/mol and those between local minima, gauche and anti forms, are less than 0.2 kcal/mol. For the larger DME molecule, the BSSE differences between local minima are still less than 0.4 kcal/mol, but may not be ignored compared to the energy differences of 0.2-3.0 kcal/mol between conformers.

• 한국전산구조공학회논문집
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• 제21권3호
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• pp.239-245
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• 2008

확장 B-스플라인 기저함수(extended B-spline basis functions)을 이용한 레벨셋 기반의 위상 형상 최적설계 기법을 정상 상태의 열전도 문제에 대하여 개발하였다. 본 해석법은 레벨셋으로 결정된 영역 안쪽만 고려하여 해석을 수행하게 되므로 열전달 문제에서 생길 수 있는 영역 바깥부분 영향을 제거할 수 있다. 설계민감도 해석으로부터 결정되는 법선속도를 활용하여 헤밀턴-자코비 방정식의 해를 구하게 되며, 주어진 체적조건 하에서 열 컴플라이언스(thermal compliance)가 최소가 되는 방향으로 최적의 형상을 결정할 수 있다. 형상 설계민감도를 정확하게 얻기 위해서는 레벨셋 함수와 B-스플라인 함수를 이용하여 수직 단위 벡터와 형상의 곡률을 정확히 결정하며, 위상 설계민감도를 통해 최적화과정 동안 필요한 위치와 시점에서 위상의 변화를 주는 홀을 쉽게 생성할 수 있다.

• 한국CDE학회논문집
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• 제3권4호
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• pp.243-250
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• 1998

In parametric surface interpolation, the choice of the parameter values to the set of scattered points makes a great deal of difference in the resulting surface. A new method is developed and tested for the parametrization in NURBS surface global interpolation. This method uses the parameter value at the maximal value of relevant rational basis function, to assign the parameter values to the arbitrary set of design data. This method gives us several important advantages in geometric modeling, the freedom of the selection of knot values, the feasible transformation of the data set to the matrix, the possibility of affinite transformation between the design data and generated surface, etc.

• 한국정밀공학회:학술대회논문집
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• 한국정밀공학회 1995년도 추계학술대회 논문집
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• pp.957-960
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• 1995

A new method is introduced for the parametrization in B-spline surface interpolation. THis method uses the basis function to assign the parameter values to the arbitrary set of geometric data. This method gives us several important advantages in geometric modeling.