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arXiv · 2408.16188

Conformal Coordinates for Molecular Geometry: from 3D to 5D

Jesus Camargo·Carlile Lavor·Michael Souza
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Abstract

This paper introduces the conformal model (an extension of the homogeneous coordinate system) for molecular geometry, where 3D space is represented within R^5 with an inner product different from the usual one. This model enables efficient computation of interatomic distances using what we call the Conformal Coordinate Matrix (C-matrix). The C-matrix not only simplifies the mathematical framework but also reduces the number of operations required for distance calculations compared to traditional methods.

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Jesus Camargo, Carlile Lavor, Michael Souza. 2024-08-29. Conformal Coordinates for Molecular Geometry: from 3D to 5D. https://arxiv.org/abs/2408.16188

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