How statement and proof provenance work
The first chip identifies the source of the statement or construction; the second identifies the source of its local proof or verification.
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The energy-gradient mesh force matches the differentiated mesh energy
Example
Fix and take the unit cubic cell, at and at , a mesh, order , and retained modes . The sources are neutral and lie off mesh knots. The mesh force from the energy-gradient gather is the negative gradient of the finite mesh reciprocal energy; the optional self correction has the displayed differentiated force. The theorem's deterministic bound applies.
Facts & Assumptions
Given: Countable Choice, ; the dipole configuration, , , the displayed signed modes, and the unitary mesh assignment.
The Ewald reciprocal error theorem carries Countable Choice from the periodic Gaussian construction (The Axiom of Countable Choice ()).
The DFT-deconvolved spread coefficient obeys with the stated normalization (Exact three-dimensional spline assignment aliases and FFT normalization).
The mesh energy is , and its declared force is the real-part gather; the corrected energy subtracts (Periodic cardinal-spline assignment and unitary mesh transform).
For the mesh force is the negative energy gradient; the self-corrected force and deterministic energy/force bounds are as stated in the reciprocal PME theorem (Deterministic reciprocal particle-mesh Ewald potential, energy, and force bounds).
Verification
The two positions are distinct and neutral. Each coordinate multiplied by is either or , hence no coordinate is an integer and both particles are off assignment knots. The mode set is symmetric, injective modulo , nonzero, and satisfies . Since , the required window denominators are nonzero.
By [F1], . With , the factors are differentiable. The chain rule gives . Therefore . Summing over and negating yields exactly the stated energy-gradient force.
Differentiating with respect to gives . Hence , the corrected force formula.
Since , this instance has classical derivatives at all positions. Applying [F3] to the same admissible data gives the deterministic retained-mode error certificate, including the corrected bound when the correction is selected. A spectral differentiation rule is a different force choice and does not inherit this energy-gradient identity; at knots the assignment definition supplies a branch value but no classical-gradient claim.
Depends on
- The Axiom of Countable Choice ($\mathrm{AC}_\omega$)
- Periodic cardinal-spline assignment and unitary mesh transform
- Neutral point sources and Fourier data on a three-dimensional torus
- Exact three-dimensional spline assignment aliases and FFT normalization
- Deterministic reciprocal particle-mesh Ewald potential, energy, and force bounds
Used by
Nothing in the library uses this result yet.
Dependency tree · two levels
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