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Springer eBooks

Horizons of Quantum Chemistry

Ken–ichi Fukui, Bernard Pullman

Published Jan 1, 1980• 290 citations
Publisher
DOI
10.1007/978-94-009-9027-2

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The World of Quantum Chemistry

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Foundations of Trans-Planckian Horizon Lock Mechanics – Quantum Chemistry Resolution: Resolving the High-Dimensional Molecular Configuration Space Problem and Multi-Electron Ultraviolet Divergences via the Invariant Causal Scale

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This paper delivers the formal mathematical physics resolution to the primary unsolved phenomenon in theoretical chemistry: the catastrophic dimensional collapse and ultraviolet self-energy divergence within high-dimensional molecular configuration spaces (D -> 1000). In multi-electron systems, computing non-linear wave functions across high-dimensional basins triggers computational non-renormalizability, causing the traditional Schrödinger equations to yield infinite probability poles. Operating under the structural framework of the Trans-Planckian Horizon Lock Mechanics (TPHLM), we regularize the multi-dimensional configuration mesh by mapping field integrations onto the global scale of the Khandey Causal Invariant Constant (K_J = 2.02 x 10^26 m). By employing natural and Planck-normalized units (c = h = l_p = \tau_p = 1), we demonstrate total wave-function imputation, satisfy state unitarity under continuous scaling, and eliminate configuration space divergences across a perfect 0.0000000000000000% error baseline.

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From the Octonionic Light Cone to Digital Quantum States and the OSH Oracle

Steven Jr Ettinger

This manuscript presents a Lean-formalised, discrete null-lattice light-cone construction that derives an auxiliary field and rapidity ladder directly from combinatorial structure. The resulting framework supplies an explicit, lossless interpretation of quantum superposition on an octonionic ℝ⁸ carrier while exactly reproducing the inner-product invariants of standard quantum mechanics. It simultaneously enables an exact sparse, horizon-causal update rule that supports efficient classical simulation in structured regimes. The model establishes a horizon-limited bridge between quantum mechanics and quantum field theory. A finite measurement layer implements Born-rule normalisation together with closed energy accounting through auxiliary, birefringence, and redshift channels. The discrete carrier is ultraviolet-finite by construction; infrared behaviour is controlled by a causal horizon. Lattice combinatorics force the shell-wise curvature-imprint ratio α = 3/5 and the complementary unit-horizon fraction γ = 2/5 exactly. The same auxiliary bookkeeping naturally accommodates polarisation-rotation observables, with direct implications for cosmic-microwave-background birefringence at large scales. Applications to quantum chemistry and protein folding are demonstrated through nonnegative traceable site-energy contracts and refinement algebras. The auxiliary carrier wave supplies full local bookkeeping of energy flows and probability currents within the horizon-limited causal structure. This deterministic local accounting explicitly rules out globally branching many-worlds interpretations and instead provides an algebraic foundation that aligns the model with a pilot-wave ontology: measurement selection emerges from an explicit, calibrated rule that enforces Born-rule statistics without invoking dynamical collapse. The construction remains a representation-level reformulation focused on operational completeness and conservation.

•Mar 25, 2026•0 citations
This paper delivers the formal mathematical physics resolution to the primary unsolved phenomenon in theoretical chemistry: the catastrophic dimensional collapse and ultraviolet self-energy divergence within high-dimensional molecular configuration spaces (D -> 1000). In multi-electron systems, computing non-linear wave functions across high-dimensional basins triggers computational non-renormalizability, causing the traditional Schrödinger equations to yield infinite probability poles. Operating under the structural framework of the Trans-Planckian Horizon Lock Mechanics (TPHLM), we regularize the multi-dimensional configuration mesh by mapping field integrations onto the global scale of the Khandey Causal Invariant Constant (K_J = 2.02 x 10^26 m). By employing natural and Planck-normalized units (c = h = l_p = \tau_p = 1), we demonstrate total wave-function imputation, satisfy state unitarity under continuous scaling, and eliminate configuration space divergences across a perfect 0.0000000000000000% error baseline.
Alán Aspuru-Guzik’s nearly 2 decades of research can’t be narrowed down to a single scientific field. But the flurry of ideas coming from his lab fits, if precariously, under a grander theme: expansion. “I’m very interested in exploring life,” he says. “When there are opportunities that expand my horizon, I will take them.” For Aspuru-Guzik, a professor of chemistry and computer science at the University of Toronto, the possibilities of the unknown are what have driven his laboratory to the interfaces of quantum computing, machine learning, and chemistry. Aspuru-Guzik blurs the lines between everything: theoretical and experimental chemistry, art and science, and creativity and stiffness. “For Alán, disciplines are artificial,” says Joel Yuen-Zhou, who received his PhD from Aspuru- Guzik’s lab in 2012 and now serves as an associate professor of chemistry at the University of California San Diego. Aspuru-Guzik’s interests span art, literature, music, and science, which made him
This manuscript presents a Lean-formalised, discrete null-lattice light-cone construction that derives an auxiliary field and rapidity ladder directly from combinatorial structure. The resulting framework supplies an explicit, lossless interpretation of quantum superposition on an octonionic ℝ⁸ carrier while exactly reproducing the inner-product invariants of standard quantum mechanics. It simultaneously enables an exact sparse, horizon-causal update rule that supports efficient classical simulation in structured regimes. The model establishes a horizon-limited bridge between quantum mechanics and quantum field theory. A finite measurement layer implements Born-rule normalisation together with closed energy accounting through auxiliary, birefringence, and redshift channels. The discrete carrier is ultraviolet-finite by construction; infrared behaviour is controlled by a causal horizon. Lattice combinatorics force the shell-wise curvature-imprint ratio α = 3/5 and the complementary unit-horizon fraction γ = 2/5 exactly. The same auxiliary bookkeeping naturally accommodates polarisation-rotation observables, with direct implications for cosmic-microwave-background birefringence at large scales. Applications to quantum chemistry and protein folding are demonstrated through nonnegative traceable site-energy contracts and refinement algebras. The auxiliary carrier wave supplies full local bookkeeping of energy flows and probability currents within the horizon-limited causal structure. This deterministic local accounting explicitly rules out globally branching many-worlds interpretations and instead provides an algebraic foundation that aligns the model with a pilot-wave ontology: measurement selection emerges from an explicit, calibrated rule that enforces Born-rule statistics without invoking dynamical collapse. The construction remains a representation-level reformulation focused on operational completeness and conservation.