Boys functions are used to evaluate Gaussian integrals in ab initio quantum chemistry
the verdict
SUPPORTED
the evidence backs this
confidence 79/100
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.
Evidence for · 2
GPU Acceleration of the Boys Function Evaluation in Computational Quantum Chemistry
2024 · cited by 4
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
2023 · cited by 2
This paper discusses the efficient GPU-accelerated bulk evaluation of the Boys function specifically for quantum chemistry applications.