Work

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

Year: 2026

Type: article

Abstract: ABSTRACT This paper introduces the conformal model (an extension of the homogeneous coordinate system) for molecular geometry, where 3D space is represented within 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.

Source: Journal of Computational Chemistry

DOI: 10.1002/jcc.70256

Authors: Jesus Camargo, Carlile Lavor, Michael Souza

Institutions: Universidade Estadual do Oeste do Paraná, Universidade Estadual de Campinas (UNICAMP), Universidade Federal do Ceará

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,520

Funders: Fundação de Amparo à Pesquisa do Estado de São Paulo, Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, Conselho Nacional de Desenvolvimento Científico e Tecnológico