article · The Journal of Chemical Physics
A rescaled Manning potential is obtained in the analysis of scatterings of small-amplitude excitations with a kink defect. The generic model is a nonlinear Klein-Gordon Hamiltonian describing a one-dimensional chain of identical molecules subjected to a hyperbolic single-particle substrate potential. To account for isotope effects that are likely to affect characteristic equilibrium parameters of the molecular chain, including the lattice spacing (i.e., the characteristic intermolecular distance) and/or the barrier height, the hyperbolic substrate potential is endowed with a real parameter whose variation makes it suitable for the description of molecular excitations in a broad range of systems with inversion symmetry. These include hydrogen-bonded molecular crystals, α-helix proteins, long polymer chains, and two-state quantum-tunneling systems in general. Double-well models with deformable profiles are relevant in physical contexts where the equilibrium configurations are sensitive to atomic or molecular substitutions, dilution, solvation, and so on.
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DOI: 10.1063/5.0291413
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