Pointwise split of the short-time cutoff error #
The error is bounded by a fixed normal-phase polynomial on the negative phase region and by radius-decaying shell terms elsewhere.
The radius-dependent coefficient of the spatial shell error.
Equations
- ESS.buShortShellCoeff scale R c₁ = (9 * (c₁ * scale) + 54) * (CKN.cutoffGradientConstant / (2 * R)) + 3 * (CKN.cutoffSecondDerivativeConstant / (2 * R) ^ 2)
Instances For
theorem
ESS.buShortShellCoeff_nonneg
{scale R c₁ : ℝ}
(hscale : 0 < scale)
(hR : 0 < R)
(hc₁ : 0 ≤ c₁)
:
The spatial shell coefficient is nonnegative.