The bulk energy of the planar Lennard--Jones potential

We determine the minimum bulk energy of the classical planar Lennard--Jones potential. For every finite configuration of distinct points, the interaction energy is bounded below by the number of particles times the energy per particle of the optimally scaled triangular lattice. Finite triangular patches attain this bound in the thermodynamic limit. The main idea is to construct a positive-definite minorant by integrating the atomic Gaussian interpolation family of OpenAI against the signed Laplace density of the Lennard--Jones potential. The signed density requires a separate proof of the minorant and Fourier positivity inequalities. We establish these inequalities by combining a finite interval calculation with uniform bounds for the infinite interpolation correction and the unbounded range. Poisson summation and its derivative under dilation determine the sharp constant from the interpolation conditions and the zero-pressure identity. The argument applies to arbitrary finite configurations, with no periodicity or density assumption. The accompanying certificate contains the verification programs, their numerical enclosures, and the complete interval covering used in the proof.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-10-31
DOI
https://doi.org/10.5281/zenodo.23835693
Primary Topic
Mathematical Approximation and Integration
Type
preprint
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preprint

The bulk energy of the planar Lennard--Jones potential

Matthew J. Colbrook
Zenodo (CERN European Organization for Nuclear Research)
Mathematical Approximation and Integration
preprint

The bulk energy of the planar Lennard--Jones potential

Matthew J. Colbrook
preprint en

Abstract

We determine the minimum bulk energy of the classical planar Lennard--Jones potential. For every finite configuration of distinct points, the interaction energy is bounded below by the number of particles times the energy per particle of the optimally scaled triangular lattice. Finite triangular patches attain this bound in the thermodynamic limit. The main idea is to construct a positive-definite minorant by integrating the atomic Gaussian interpolation family of OpenAI against the signed Laplace density of the Lennard--Jones potential. The signed density requires a separate proof of the minorant and Fourier positivity inequalities. We establish these inequalities by combining a finite interval calculation with uniform bounds for the infinite interpolation correction and the unbounded range. Poisson summation and its derivative under dilation determine the sharp constant from the interpolation conditions and the zero-pressure identity. The argument applies to arbitrary finite configurations, with no periodicity or density assumption. The accompanying certificate contains the verification programs, their numerical enclosures, and the complete interval covering used in the proof.

Zenodo (CERN European Organization for Nuclear Research)
University of Cambridge (GB)
Mathematical Approximation and Integration
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The bulk energy of the planar Lennard--Jones potential — Matthew J. Colbrook · Zenodo (CERN European Organization for Nuclear Research) (2026) | TGRS Research Map | TGRS