以内部坐标计算原子间距离及其衍生物的均质坐标系新视角（Adv. Theory Simul.）

IF 2.9 4区工程技术 Q1 MULTIDISCIPLINARY SCIENCES

Advanced Theory and Simulations Pub Date : 2024-11-11 DOI:10.1002/adts.202470027

Jesus Camargo, Carlile Lavor

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引用次数: 0

摘要

这幅封面图片展示了传统笛卡尔坐标系（绿色）与均质坐标系（紫色）之间的对比，均质坐标系从笛卡尔网格中延伸出一个额外的维度。三维空间的均质模型不仅使等距线性化，如红色的 4×4 矩阵使用内部坐标所示，而且还为计算原子间距离提供了一种更优雅、更紧凑的表示方法，左侧的红色突出显示了这一点。更多详情，请参阅耶稣-卡马戈（Jesus Camargo）和卡莱尔-拉沃尔（Carlile Lavor）的 2400271 号文章。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

A New Perspective on the Homogeneous Coordinate System for Calculating Interatomic Distances and Their Derivatives in Terms of Internal Coordinates (Adv. Theory Simul. 11/2024)

查看原文本刊更多论文

A New Perspective on the Homogeneous Coordinate System for Calculating Interatomic Distances and Their Derivatives in Terms of Internal Coordinates (Adv. Theory Simul. 11/2024)

This cover image illustrates the contrast between the traditional Cartesian coordinate system (depicted in green) and the homogeneous coordinate system (shown in purple), with an additional dimension extending from the Cartesian grid. The homogeneous model for 3D space not only linearizes isometries, as demonstrated by the 4 × 4 matrix in red using internal coordinates, but it also provides a more elegant and compact representation for calculating interatomic distances, highlighted in red on the left. For further details, see article number 2400271 by Jesus Camargo and Carlile Lavor.

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来源期刊

Advanced Theory and Simulations Multidisciplinary-Multidisciplinary

CiteScore

5.50

自引率

3.00%

发文量

221

期刊介绍： Advanced Theory and Simulations is an interdisciplinary, international, English-language journal that publishes high-quality scientific results focusing on the development and application of theoretical methods, modeling and simulation approaches in all natural science and medicine areas, including: materials, chemistry, condensed matter physics engineering, energy life science, biology, medicine atmospheric/environmental science, climate science planetary science, astronomy, cosmology method development, numerical methods, statistics