In contrast to the ease of performing a spin-free two- or four-component CC calculation, a SO-CC calculation necessitates using the complex algebra and dealing with double group symmetry.84 Consequently, more extensive modifications of the CC algorithms and implementations are required for ...
Planar amine group acts as an electron-donating group, while pyramidal amine behaves as electron-accepting group. This inference was confirmed by scrutiny of crystallographic geometry and quantum chemical studies. To ascertain underlying reasons for this fact, intermolecular interactions (N HN type H-...
electrons in a lattice move on orbits defined by the geometry of their FS. When an integer multiplenof the cyclotron diameter matches the contact spacingL, an excess of electrons arrives at the distant contact, leading to an increase in its chemical potential. As the cyclotron radius,\(r_{\...
名称(Name):Qt Designer [外部工具的名称 可自定义] 组(Group):使用默认值 程序(Program):C:\\Python\Python38\Lib\site-packages\QtDesigner\designer.exe [输入自己的PyQt5开发工具安装路径] 工作目录(Working directory):$ProjectFileDir$ [表示自己文件所在的项目路径] 1. 2. 3. 4. 图示操作: 当然将ui...
aThe machine-learning methods used to make predictions are described. For each molecular geometry, the matrix elements of the external potential (e.g., electron-nuclear attraction potential) with respect to a Gaussian-type Orbital (GTO) basis set are computed.γ-learning uses one-electron reduced...
Multidimensional Image Processing Group, University of Heidelberg;Multidimensional Image Processing Group, University of Heidelberg;Multidimensional Image Processing Group, University of Heidelberg;Multidimensional Image Processing Group, University of HeiApplications of discrete geometry and mathematical morphology...
In addition, we discuss the existence of a perfectly conducting state at the band center of this geometry and the influence of a uniform magnetic field threading each elementary plaquette of the lattice on its spectral properties. Of particular interest is the case of extreme localization of ...
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Hoelke, C. W.Taylor & Francis GroupPhilosophical MagazineCockayne, DJH, Parsons, JR, Hoelke, CW (1971) A study of the relationship between lattice fringes and lattice planes in electron microscope images of crystals containing defects. Phil Mag 24: pp. 139-153...
Analogy between Algebraic Geometry and Algebraic Number Theory definitions (Picard Group, Ramification index, etc) Would a torchship be legal? Counting constrained permutations Is there any type of mechanical engine failure that would inhibit a helicopter from making an autorotatio...