A Unified Energy-Ontological Language for Chemical Bonding: Mapping Quantum Chemistry onto Energy-Efficiency Theory with Quantitative Validation

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Abstract

Quantum chemistry has developed a rich set of descriptors—bond dissociation energy, electron density, bond order, electron localization function (ELF), and en tanglement entropy—to characterize chemical bonding, yet these descriptors are often framed in disconnected formalisms and lack a unified ontological foundation. Energy-Efficiency Theory (EET) offers a complementary framework based on energy monism, where all stable structures are configurations of constrained-state energy. In this paper, we systematically map the core concepts of quantum chemistry onto their EET counterparts, providing a unified energy-ontological language for chemical bonding. We show that: (1) the bond dissociation energy is…

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Topics & keywords

Keywords
  • Rotation formalisms in three dimensions
  • Quantum chemistry
  • Bond-dissociation energy
  • Diatomic molecule
  • Quantum
  • Density functional theory
  • Chemical bond
  • Perturbation theory (quantum mechanics)
UN Sustainable Development Goals
  • Affordable and clean energy
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