• 제목/요약/키워드: Overlap integral

검색결과 23건 처리시간 0.023초

Two Center Overlap Integrals의 계산을 위한 Spherical Hamonics 전개방법의 응용 (제2보) (Application of the Expansion Method for Spherical Harmonics for Computation of Two Center Overlap Integrals (Ⅱ))

  • 오세웅;안상운
    • 대한화학회지
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    • 제23권3호
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    • pp.125-131
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    • 1979
  • 한 쌍의 slater type orbitals에 대한 two overlap integrals을 계산하는 방법이 Mulliken등에 의하여 발전되었다. 이 방법으로 two center integrals을 계산하기 위해서는 한쌍의 Slater type orbital,에 대한 극좌표들 타원좌표로 변환해야한다. 두 점에 위치한 Slater type orbital을 공통좌표상에 전개시키는 새로운 방법 즉 spherical harmonics의 전개방법이 two center overlap integrals, 을 계산하는데 응용되었다. 이 새로운 방법에서는 Slater type orbitals, 을 기준점에 대해 전개시키는 것이 필요하다. 본 연구에서는 two center overlap integral을 계산하기 위한 spherical harmonics 전개방법을 $|3s{\g}$, $|5s{\g}$$|5s{\g}$에 까지 확장시켰다. 이들 원자궤도함수의 전개식을 사용하여 two center overlap integrals의 기본식을 유도하였으며, 이 기본식을 사용하여 가상적인 NO 분자에 대한 two cunter overlap integrals의 계산값이 이미 보고된 값과 일치하였다.

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분자계의 Overlap Integral의 계산의 Spherical Harmonics 전개방법의 응용 (Application of the Expansion Method for Spherical Harmonics for Computation of Overlap Integrals in Molecular System)

  • 안상운
    • 대한화학회지
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    • 제22권3호
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    • pp.117-127
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    • 1978
  • 두점 A와 B에 위치한 Slater원자궤도함수의 spherical harmonics부와 지름부를 기준점 A를 중심으로 전개하여 공통좌표상에 기술하였다. 이 Slater 원자궤도함수의 전개식을 사용하여 two center overlap integral의 기본식을 유도하였으며 이 기본식을 이용하여 $CH_4,\;H_2O,\;NH_3,\;C_2H_6$$PH_3$ 분자의 two center overlap integral을 계산하였을 때 이 값이 Mulliken의 값과 일치하였다.

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상태밀도와 overlap integral이 실리콘내 전자의 임팩트이온화율에 미치는 영향 (Influence of the density of states and overlap integral on impact ionization rate for silicon)

  • 정학기;유창관;이종인
    • 한국정보통신학회:학술대회논문집
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    • 한국해양정보통신학회 1999년도 춘계종합학술대회
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    • pp.394-397
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    • 1999
  • 임팩트이온화는 고전계하에서 고에너지를 지닌 캐리어간 산란으로써 전자전송해석에 필수적인 요소이다. 그러나 포물선 또는 비포물선 E-k관계는 고에너지에서 실제 밴드구조와 매우 상이한 결과를 나타내므로 임팩트이온화에 대한 정화한 모델은 풀밴드 E-k관계와 페르미의 황금법칙을 이용하여 제시하고 있다. 본 연구에서는 풀밴드를 이용하여 실리콘 임팩트이온화율에 영향을 미치는 상태밀도와 에너지밴드구조 관계, overlap integral의 에너지에 대한 변화를 조사 분석하였다. 실리콘의 에너지밴드구조를 구하기 위하여 경험적 의사포텐셜방법을 사용하였으며 상태밀도를 구하기 위하여 사면체방법을 사용하였다. 또한 임팩트이온화율을 구하기 위하여 페르미의 황금법칙들 사용하였다. 결과적으로 상태밀도는 에너지증가에 따라 단조 증가하는 임팩트이온화율과 달리 에너지밴드구조에 따라 변화하였다. 그러나 overlap integral은 에너지증가에 따라 큰 값을 갖는 분포가 증가함으로써 임팩트이온화율에 직접 영향을 미치는 것을 알 수 있었다.

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Numerical Investigation on Overlap Effects of Tandem Rotors in Forward Flight

  • Lee, Jae-Won;Oh, Se-Jong;Yee, Kwan-Jung;Kim, Deog-Kwan
    • International Journal of Aeronautical and Space Sciences
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    • 제10권2호
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    • pp.63-76
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    • 2009
  • A study on the interference effects of overlapping tandem rotors in forward flight is conducted using the time-marching free-wake panel method which adopts field velocity boundary integral formulation. The conventional boundary integral formulation is numerically unstable for the cases when the blade and the wake are in close proximity to each other. In order to avoid this problem, this study applies the field velocity method and modifies the boundary integration formulation. The improved method is used for the parametric study on the advance ratio and the distance between the rotors. These are the parameters that most affect the interference of the tandem rotor in forward flight. Comparison of the aerodynamic performance shows that the horizontal distance between the rotors negligibly influences the overlap-induced power factor for high advance ratio. In addition, it shows that the overlap-induced power factor is inversely proportional to the squared vertical distance between the rotors, and that the overlap-induced power factor increases to a certain extent and decrease back as the advance ratio increases.

쌍극자모멘트 행렬요소를 계산하는 두가지 방법 (Two Method for Evaluation of the Dipole Moment Matrix Elements)

  • 안상운
    • 대한화학회지
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    • 제22권4호
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    • pp.229-238
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    • 1978
  • Spherical harmonic의 전개방법과 쌍극자모멘트의 행렬요소를 Mulliken의 overlap integral로 전환시키는 방법을 사용하여 쌍극자모멘트의 행렬요소를 계산하는 두가지 방법을 발전시켰다. 이 두 방법에 의하여 계산한 쌍극자모멘트행렬요소의 값은 서로 일치하였다.

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Two-mode Fiber with a Reduced Mode Overlap for Uncoupled Mode-division Multiplexing in C+L Band

  • Hong, Seongjin;Choi, Kyoungyeon;Lee, Yong Soo;Oh, Kyunghwan
    • Current Optics and Photonics
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    • 제2권3호
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    • pp.233-240
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    • 2018
  • We proposed a two-mode fiber (TMF) design that can effectively reduce the mode overlap between $LP_{01}$ and $LP_{11}$ modes by using a W-shaped index profile core structure, which is a primary concern in uncoupled mode division multiplexing (MDM). TMF has a three-layered core structure; central circular core, inner cladding, and outer ring core. We confirmed that in an optimal structure the $LP_{01}$ mode was highly confined to the central core while the $LP_{11}$ mode was guided along the outer ring core to result in a minimum overlap integral. We used a full-vectorial finite element method to estimate effective index, differential group delay (DGD), confinement loss, chromatic dispersion, and mode overlap controlling the parameters of the W-shaped structure. The optimized W-profile fiber provided optical characteristics within the ITU-T recommended standards over the entire C+L band.

생체분자와 필드의 동시국소화를 통한 플라스몬 센서의 감도향상 연구 (Enhanced Detection Sensitivity of Surface Plasmon Resonance Biosensing Based on Colocalized Target Molecules and Evanescent Fields)

  • 이원주;오영진;김동현
    • 한국광학회지
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    • 제22권4호
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    • pp.198-203
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    • 2011
  • 본 논문에서는 국소화된 플라스몬 필드 내에 분자를 동시국소화 시키는 방법으로 플라스몬 센서의 감도를 향상시키기 위한 이론적 연구를 수행하였다. 플라스몬 필드의 국소화는 나노격자를 통하여 이루어 졌으며, 측정하고자 하는 분자 반응은 유전체 박막의 기울임 증착을 통하여 국소화되는 것으로 가정하였다. 근접장 기반의 필드와 분자 분포 간의 중복적분 값을 통하여 중복도가 플라스몬 센서의 감도와 밀접한 관련이 있는 것을 확인하였으며, 계산된 플라스몬 센서 특성에 근거하여 동시국소화된 플라스몬 센서의 경우, 동시국소화되지 않은 경우에 비하여, 10배 정도의 감도개선 효과가 있는 것을 확인하였다.

레일리 인테그랄의 수치해석상 오차에 대한 이론적 고찰 (Error Analysis Caused by Using the Dftin Numerical Evaluation of Rayleigh's Integral)

  • Kim, Sun-I.
    • 대한의용생체공학회:의공학회지
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    • 제10권3호
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    • pp.323-330
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    • 1989
  • Large bias errors which occur during a numerical evaluation of the Rayleigh's integral is not due to the replicated source problem but due to the coincidence of singularities of the Green's function and the sampling points in Fourier domain. We found that there is no replicated source problem in evaluating the Rayleigh's integral numerically by the reason of the periodic assumption of the input sequence in Dn or by the periodic sampling of the Green's function in the Fourier domain. The wrap around error is not due to an overlap of the individual adjacent sources but berallse of the undersampling of the Green's function in the frequency domain. The replicated and overlApped one is inverse Fourier transformed Green's function rather than the source function.

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Visual Quality Enhancement of Three-Dimensional Integral Imaging Reconstruction for Partially Occluded Objects Using Exemplar-Based Image Restoration

  • Zhang, Miao;Zhong, Zhaolong;Piao, Yongri
    • Journal of information and communication convergence engineering
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    • 제14권1호
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    • pp.57-63
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    • 2016
  • In generally, the resolution of reconstructed three-dimensional images can be seriously degraded by undesired occlusions in the integral imaging system, because the undesired information of the occlusion overlap the three-dimensional images to be reconstructed. To solve the problem of the undesired occlusion, we present an exemplar-based image restoration method in integral imaging system. In the proposed method, a minimum spanning tree-based stereo matching method is used to remove the region of undesired occlusions in each elemental image. After that, the removed occlusion region of each elemental images are re-established by using the exemplar-based image restoration method. For further improve the performance of the image restoration, the structure tensor is used to solve the filling error cause by discontinuous structures. Finally, the resolution enhanced three-dimensional images are reconstructed by using the restored elemental images. The preliminary experiments are presented to demonstrate the feasibility of the proposed method.

Advanced 360-Degree Integral-Floating Display Using a Hidden Point Removal Operator and a Hexagonal Lens Array

  • Erdenebat, Munkh-Uchral;Kwon, Ki-Chul;Dashdavaa, Erkhembaatar;Piao, Yan-Ling;Yoo, Kwan-Hee;Baasantseren, Ganbat;Kim, Youngmin;Kim, Nam
    • Journal of the Optical Society of Korea
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    • 제18권6호
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    • pp.706-713
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    • 2014
  • An enhanced 360-degree integral-floating three-dimensional display system using a hexagonal lens array and a hidden point removal operator is proposed. Only the visible points of the chosen three-dimensional point cloud model are detected by the hidden point removal operator for each rotating step of the anamorphic optics system, and elemental image arrays are generated for the detected visible points from the corresponding viewpoint. Each elemental image of the elemental image array is generated by a hexagonal grid, due to being captured through a hexagonal lens array. The hidden point removal operator eliminates the overlap problem of points in front and behind, and the hexagonal lens array captures the elemental image arrays with more accurate approximation, so in the end the quality of the displayed image is improved. In an experiment, an anamorphic-optics-system-based 360-degree integral-floating display with improved image quality is demonstrated.