Boys functions are used to evaluate Gaussian integrals in ab initio quantum chemistry

the verdict

SUPPORTED

the evidence backs this

Recorded sources

2 sources for · 0 against

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The claim is supported by literature demonstrating that the Boys function is a key mathematical integral frequently computed in ab initio quantum chemistry and molecular orbital calculations.

The analysis

Papers [5] and [11] explicitly state that the Boys function is a mathematical integral frequently evaluated in ab initio molecular orbital computations within computational quantum chemistry, directly supporting the claim.

Evidence for · 2

GPU Acceleration of the Boys Function Evaluation in Computational Quantum Chemistry

Recorded source metadata

Satoki Tsuji, Yasuaki Ito, Koji Nakano, A. Kasagi. GPU Acceleration of the Boys Function Evaluation in Computational Quantum Chemistry. 2024. https://doi.org/10.1002/cpe.8328

This study explicitly details how the Boys function is a pivotal mathematical integral frequently evaluated in ab initio molecular orbital computations.

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More for · 1

Efficient GPU-Accelerated Bulk Evaluation of the Boys Function for Quantum Chemistry

Recorded source metadata

Satoki Tsuji, Yasuaki Ito, Koji Nakano, A. Kasagi. Efficient GPU-Accelerated Bulk Evaluation of the Boys Function for Quantum Chemistry. 2023. https://doi.org/10.1109/CANDAR60563.2023.00014

This paper discusses the efficient GPU-accelerated bulk evaluation of the Boys function specifically for quantum chemistry applications.

Source citation format

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first checked01 Aug 2026

judged → SUPPORTED · 7901 Aug 2026

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