MPCT-τ: A Chemical Stability Scalar Model Based on Electronic Configuration

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Authors: lichao
Cited by: 0

Abstract

This paper presents MPCT-τ (Multi-parameter Chemical Tau), a novel scalar model for predicting chemical element stability based solely on electronic configuration. The model translates quantum-mechanical principles into a single stability parameter τ ranging from 0.0 to 1.0, where higher values indicate greater chemical stability. Through systematic development and validation, MPCT-τ achieves 100% accuracy on a comprehensive test set of 25 representative elements spanning alkali metals, transition metals, halogens, and noble gases. The model successfully explains chemical anomalies such as oxygen's lower stability compared to nitrogen (attributed to electron-electron repulsion) and validates diagonal relationships in the periodic table. MPCT-τ serves as an effective educational tool, research aid, and potential interface for machine learning applications in materials discovery

Fields of Study & Subjects

History and advancements in chemistry Machine Learning in Materials Science Advanced Chemical Physics Studies

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
19 January 2026