Author

Stephen Wiggins

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Preprint Sep 2026

Solvent Inertia Changes Product Probability by Relocating the Phase-Space Reactivity Boundary

Changing solvent inertia changes the kinetic part of a molecular Hamiltonian and hence its flow in phase space, without requiring a change in the potential energy surface (PES). We study how this affects product probability in a solute-solvent model with two degrees of freedom. Initial conditions are chosen at the same...

Stephen Wiggins · 0 citations

Preprint Aug 2026

What solvable models reveal about Born-Oppenheimer, Born-Huang, and exact factorization

The Born-Oppenheimer (BO) and single-surface Born-Huang (BH) approximations replace the full molecular problem by nuclear motion associated with one clamped electronic state, whereas the full BH expansion and exact factorization (EF) are exact representations. We use two analytically transparent models to identify what...

Stephen Wiggins · 1 citation

Preprint Sep 2026

From Transition-State Geometry to Gap Times: What Lagrangian Betweenness Measures in Chemical Reaction Dynamics

A chemical transition state is a phase-space bottleneck: trajectories approach along stable directions and leave along unstable directions. Lagrangian betweenness (LB), introduced in finite-time transport theory for fluid flows, combines backward and forward deformation in a way suggestive of this gather-and-disperse g...

Stephen Wiggins · 0 citations