Symplectic capacities and non-squeezing may impose geometric constraints on reaction rates near saddles that are not captured by total phase-space volume or flux alone.
Wigner’s dynamical transition state theory in phase space: classical and quantum
2 Pith papers cite this work. Polarity classification is still indexing.
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Derives a cusp criterion in asymmetry-coupling parameter space determining when an adiabatic Marcus Hamiltonian supports a local Hamiltonian bottleneck with NHIMs on the lower sheet.
citing papers explorer
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Symplectic Constraints in Classical Reaction Dynamics: From Gromov's Camel to Reaction Rates
Symplectic capacities and non-squeezing may impose geometric constraints on reaction rates near saddles that are not captured by total phase-space volume or flux alone.
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Phase Space Bottlenecks in an Adiabatic Marcus Hamiltonian: Cusp Geometry, NHIMs, and Mixed Valence Electron Transfer
Derives a cusp criterion in asymmetry-coupling parameter space determining when an adiabatic Marcus Hamiltonian supports a local Hamiltonian bottleneck with NHIMs on the lower sheet.