All physical laws and mathematics required to completely describe chemistry are currently known.
The foundational physical laws and mathematical frameworks, such as quantum mechanics and density functional theory, are fully established to describe chemistry, with ongoing research focusing on computational efficiency and approximations rather than missing fundamental laws.
The retrieved papers illustrate that the fundamental physical laws governing chemistry (such as quantum mechanics, the Schrödinger equation, and relativistic Hamiltonians) are well-known and form the basis of modern computational chemistry and density functional theory. While practical applications rely on approximations (like exchange-correlation functionals in DFT) or advanced computational implementations, the underlying physical laws and mathematical structures themselves are understood, supporting the claim that the necessary laws are known.
Niazi SK. The Quantum Paradox in Pharmaceutical Science: Understanding Without Comprehending-A Centennial Reflection.. 2025. https://doi.org/10.3390/ijms26104658
The Schrödinger equation and quantum mechanics provide the fundamental physical framework that describes molecular behavior and chemistry.
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Brémond E, Pérez-Jiménez AJ, Adamo C, Sancho-García JC. Contemporary DFT: learning from traditional and recent trends for the development and assessment of accurate exchange-correlation functionals.. 2026. https://doi.org/10.1039/d5cp03373j
Density functional theory (DFT) demonstrates how quantum mechanical principles are systematically applied to calculate the electronic structure of all kinds of chemical systems.
Repisky M, Komorovsky S, Konecny L, Kadek M, Moitra T, Joosten M, Misenkova D, Vikhamar-Sandberg R, Kaupp M, Ruud K, Malkina OL, Malkin VG. X2C Hamiltonian Models in ReSpect: Bridging Accuracy and Efficiency.. 2025. https://doi.org/10.1021/acs.jpca.5c02990
Advanced Hamiltonian models account for relativistic and spin-orbit effects to accurately simulate complex chemical and spectroscopic processes.
Sharma M, Franzke YJ, Holzer C, Pauly F, Sierka M. Density Functional Theory for Molecular and Periodic Systems in TURBOMOLE: Theory, Implementation, and Applications.. 2025. https://doi.org/10.1021/acs.jpca.5c02937
Computational software packages successfully implement quantum chemistry and density functional theory to model molecular and periodic systems.
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