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Integrated Lennard-Jones Potential between a Sphere and a Thin Rod
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A compact analytical form is derived via an integration approach for the interaction between a sphere and a thin rod of both finite and infinite lengths, with each object treated as a continuous medium of materials points interacting by the Lennard-Jones 12-6 potential. Expressions for the resultant forces and torques are obtained. Various asymptotic limits of the analytical sphere-rod potential are discussed.
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Benchmarking Energy Calculations Using Formal Proofs
LeanLJ computes Lennard-Jones energies and long-range corrections in periodic boundaries using Lean 4, with proofs about the mathematical functions and numerical agreement with NIST SRSW benchmarks.
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