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Updated: Jul 19, 2025

Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon
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Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon

Published on: July 17, 2020

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双组件GW计算:立方缩放实现和对顶部纠正和部分自相一致的GW变体进行比较

Arno Förster1, Erik van Lenthe2, Edoardo Spadetto2

  • 1Theoretical Chemistry, Vrije Universiteit, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands.

Journal of chemical theory and computation
|August 18, 2023
PubMed
概括

我们为分子开发了一种新的双组件GW近似 (2C-GWA),改进了对电离潜力的计算. 这种方法,包括旋转轨道效应,与实验数据有很好的一致性.

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Use of Principal Components for Scaling Up Topographic Models to Map Soil Redistribution and Soil Organic Carbon09:44

Use of Principal Components for Scaling Up Topographic Models to Map Soil Redistribution and Soil Organic Carbon

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Gauss's Law: Cylindrical Symmetry

A charge distribution has cylindrical symmetry if the charge density depends only upon the distance from the axis of the cylinder and does not vary along the axis or with the direction about the axis. In other words, if a system varies if it is rotated around the axis or shifted along the axis, it does not have cylindrical symmetry. In real systems, we do not have infinite cylinders; however, if the cylindrical object is considerably longer than the radius from it that we are interested in,...
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This lesson introduces two critical methods in pharmacokinetics, the Wagner-Nelson and Loo-Riegelman methods, used for estimating the absorption rate constant (ka) for drugs administered via non-intravenous routes. The Wagner-Nelson method relates ka to the plasma concentration derived from the slope of a semilog percent unabsorbed time plot. However, it is limited to drugs with one-compartment kinetics and can be impacted by factors like gastrointestinal motility or enzymatic degradation.
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Gauss's Law: Planar Symmetry01:27

Gauss's Law: Planar Symmetry

A planar symmetry of charge density is obtained when charges are uniformly spread over a large flat surface. In planar symmetry, all points in a plane parallel to the plane of charge are identical with respect to the charges. Suppose the plane of the charge distribution is the xy-plane, and the electric field at a space point P with coordinates (x, y, z) is to be determined. Since the charge density is the same at all (x, y) - coordinates in the z = 0 plane, by symmetry, the electric field at P...
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Gauss's Law: Problem-Solving01:10

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Gauss's law helps determine electric fields even though the law is not directly about electric fields but electric flux. In situations with certain symmetries (spherical, cylindrical, or planar) in the charge distribution, the electric field can be deduced based on the knowledge of the electric flux. In these systems, we can find a Gaussian surface S over which the electric field has a constant magnitude. Furthermore, suppose the electric field is parallel (or antiparallel) to the area...
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The alternative coordinate method, also known as the Shoelace Formula, is a technique for determining the area of a traverse using Cartesian coordinates. This method relies on the sequential arrangement of x and y coordinates for each point of the shape, ensuring accuracy and ease of application.In this approach, each corner's x and y coordinates are listed as fractions, with the x-coordinate as the numerator and the y-coordinate as the denominator. These coordinates are arranged sequentially...
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Gauss's Law: Spherical Symmetry01:26

Gauss's Law: Spherical Symmetry

A charge distribution has spherical symmetry if the density of charge depends only on the distance from a point in space and not on the direction. In other words, if the system is rotated, it doesn't look different. For instance, if a sphere of radius R is uniformly charged with charge density ρ0, then the distribution has spherical symmetry. On the other hand, if a sphere of radius R is charged so that the top half of the sphere has a uniform charge density ρ1 and the bottom half...
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