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Boys functions and lower incomplete-gamma notation
Definition
Write . For and , define the finite-integral extension The Boys function is the restriction to the conventional domain . The extension to negative is used only for ordinary center derivatives at the boundary value . For and , write the lower incomplete-gamma integral as The complete Euler Gamma function has the existing meaning in Euler's Gamma function on the right half-plane, namely for real .
The integrand defining is continuous on and positive on , so exists, is positive, and, for , satisfies . The index is an arbitrary nonnegative integer; no fixed maximum order is part of this definition.
Depends on
Used by
- Finite primitive and contracted Gaussian integral evaluation with certified screening Algorithm
- Finite-budget certified evaluation of Boys function tables Algorithm
- Hermite Gaussian and Boys Coulomb auxiliary functions Definition
- Exact same-center s-orbital overlap, kinetic, attraction, and Coulomb integrals Example
- A monotone-range Taylor remainder for small Boys arguments Lemma
- A positive midpoint enclosure for Boys functions on bounded arguments Lemma
- A scaled incomplete-gamma tail bound for large Boys arguments Lemma
- Upward and downward Boys recurrence error amplification bounds Lemma
- Boys integral, power series, recurrence, and incomplete-gamma representation Theorem
- Hermite recurrence formulas for Gaussian nuclear-attraction and two-electron Coulomb integrals Theorem
Dependency tree · two levels
12 results within two dependency steps of this one, each drawn at its shortest distance from it. An arrow runs from a result to what uses it, so the chart reads left to right and ends at this result, which carries a heavier outline. Every node is a link to that result. Click elsewhere on the chart to enlarge it.
Sources
- Trygve Helgaker, Molecular Integral Evaluation, 10th Sostrup Summer School lecture notes (2008) (standard reference, not scraped)
- L. E. McMurchie and E. R. Davidson, One and Two Electron Integrals over Cartesian Gaussian Functions, UCRL-13791 (1976) (standard reference, not scraped)