• Title/Summary/Keyword: Overlap integral

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

  • Oh Se Woung;Ahn Sangwoon
    • Journal of the Korean Chemical Society
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    • v.23 no.3
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    • pp.125-131
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    • 1979
  • A method for calculation of two center overlap integrals for a pair of Slater type orbitals was developed by Mulliken et al. In this method the spherical polar coordinates for a pair of Slater type orbitals located at two different points are required to be transformed into a spheroidal coordinate set for calculation of two center overlap integrals. A new method, the expansion method for spherical harmonics, in which Slater type orbitals, located at two different points, are expressed in a common coordinate system has been applied for computation of two center overlap integrals. The new method for computation of two center overlap integrals is required to translate Slater type orbitals centered at two different points into the reference point for computation of two center overlap integrals. This work has been expanded the expansion method for spherical harmonics for computation of two center overlap integrals to $|3s{\g}$, $|5s{\g}$ and $|5s{\g}$. Master formulas for two center overlap integrals are derived for these orbitals, using the general expansion formulas. The numerical values of the two center overlap integrals evaluated for a hypothetical NO molecule are in agreement with those of the previous works.

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

  • Sangwoon Ahn
    • Journal of the Korean Chemical Society
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    • v.22 no.3
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    • pp.117-127
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    • 1978
  • Slater type orbitals, located at two different points A and B, are expressed in a common coordinate system by expanding the spherical harmonics and the radial part of these orbitals in terms of the reference point A. Master formulas for two center overlap integrals are derived, using the general expansion formulas of slater type atomic orbitals. Two center overlap integrals for $CH_4,\;H_2O,\;NH_3,\;C_2H_6\;and\;PH_3$molecules are evaluated, using master formulas for two center overlap integrals. The results are in agreement with those of two center overlap integrals of Mulliken.

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

  • 정학기;유창관;이종인
    • Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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    • 1999.05a
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    • pp.394-397
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    • 1999
  • Impact ionization, which is a kind of a carrier-carrier interaction process occurring in a semiconductor under the influence of a high electric field, is necessary to analyse carrier transport properties. Since the parabolic or nonparabolic E-k relation is different from real band structure in high energy range, exact model of impart ionization have been presented using full band I-k relation and Fermi's golden rule. We have investigated relation of density of states, energy band structure and overlap integral. We make use of empirical pseudopotential method in order to calculate energy band structure of silicon, tetrahedron method in order to calculate density of states. We know density of states very depends on energy band structure and overlap integral depends on the primary electron energy.

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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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    • v.10 no.2
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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.

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

  • Sangwoon Ahn
    • Journal of the Korean Chemical Society
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    • v.22 no.4
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    • pp.229-238
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    • 1978
  • Two methods for evaluation of the dipole moment matrix elements are developed, one using the expansion method for spherical harmonics and the other the transformation method of the dipole moment matrix elements into overlap integrals for Mulliken. The numerical values of the dipole moment matrix elements evaluated by two methods are in agreement with each other.

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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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    • v.2 no.3
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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.

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

  • Lee, Won-Ju;Oh, Young-Jin;Kim, Dong-Hyun
    • Korean Journal of Optics and Photonics
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    • v.22 no.4
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    • pp.198-203
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    • 2011
  • We have conducted a theoretical study to improve the detection limit of a surface plasmon resonance (SPR) sensor by co-localizing plasmonic fields and target molecules of interest. The fields were localized by nanograting antennas, while target molecules that participate in a molecular interaction were assumed to be co-localized by angled evaporation of a dielectric mask layer on the nanograting antennas. We have performed the evaluation using an overlap integral between distributions of plasmon fields and molecules and confirmed the correlation of the overlap with the sensitivity of an SPR sensor. Based on the calculated sensor characteristics, it was found that the sensitivity, if the fields and molecules are co-localized, can be as much as ten times that of non-colocalized structure.

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

  • Kim, Sun-I.
    • Journal of Biomedical Engineering Research
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    • v.10 no.3
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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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    • v.14 no.1
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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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    • v.18 no.6
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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.