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arXiv · 2505.09531

Super Gaussian Self-Consistent method for systems with a two-body Hamiltonian

Edward G. Timoshenko
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Abstract

A new kinetic self-consistent method is presented based on the proposed Gaussian Superposition Principle for computation of ensemble averaged observables of a macromolecule interacting via two-body forces. The latter leads to the derivation of a natural functional closure relation for the 3-point distribution functions (DF), thereby truncating a hierarchy of kinetic equations obtained from the original Langevin equation. The resulting Super Gaussian Self-Consistent (SGSC) equations for the 2-point distribution functions acquire a sufficiently tractable integro-differential form. The SGSC theory strives to yield realistic shapes of various distribution functions for any macromolecule with a generic Hamiltonian involving 2-body interaction potentials, both at equilibrium and during kinetics.

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Edward G. Timoshenko. 2025-05-14. Super Gaussian Self-Consistent method for systems with a two-body Hamiltonian. https://arxiv.org/abs/2505.09531

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