遇见数据集

ECR–Unit Field Spectral Geometry on Real Molecular IR Spectra

收藏
Zenodo2026-04-24 更新2026-05-26 收录
官方服务:

资源简介:

This work presents an exploratory spectral-geometric analysis of real molecular infrared (IR) spectra using the ECR–Unit Field framework. Code repository:https://github.com/denniscecca/ecr-unit-field Starting from real JCAMP-DX IR spectra (NIST Chemistry WebBook), an effective spectral coherence field Φ_spectral is constructed using amplitude, local stability, envelope structure, and coherence matching terms. The aim is not to reproduce quantum chemistry from first principles, but to test whether a coherence-derived field can reconstruct observable spectral structures and reveal nontrivial organization in spectral ratio space. Main results:- The constructed coherence field Φ_spectral reconstructs the spectral envelope with high correlation (~0.97–0.99) on real molecular IR spectra (e.g., H2O, C6H6).- Spectral ratio distributions do not collapse to a single discrete constant, but instead form broad, continuous regions in ratio space.- The golden ratio (φ) emerges as an effective centroid in some role-dependent projections, not as a fundamental governing constant. Interpretation:The results suggest that molecular spectra are better described as occupying stable regions in a geometric ratio space rather than being governed by a single universal constant. In this framework, coherence, phase, spectrum, and envelope can be interpreted as different projections of a unified effective field. Contents:- LaTeX manuscript (ECR–Unit Field formulation and results)- Python scripts for spectral processing and analysis- Real IR spectra (JCAMP-DX)- CSV outputs and generated figures- Reproducibility instructions (README) Important note:This is an effective, exploratory model. It does not claim to derive molecular spectra from first-principles quantum mechanics, but rather to provide a coherence-based geometric perspective on real spectral data. The package is intended for inspection, replication, and further exploration.

提供机构:
Zenodo
创建时间:
2026-04-24
二维码
社区交流群
二维码
科研交流群
商业服务