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Bibliographic Details
Main Authors: Camargo, Jesus, Lavor, Carlile, Souza, Michael
Format: Preprint
Published: 2024
Subjects:
Online Access:https://arxiv.org/abs/2408.16188
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Table of Contents:
  • 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.