SHarmonic：用于电子结构计算的球谐函数的快速精确实现
SHarmonic: A fast and accurate implementation of spherical harmonics for electronic-structure calculations
AI总结：
SHarmonic是一种基于归一化笛卡尔坐标显式公式的球谐函数新实现，精度相当而计算效率提升至少一个数量级，并支持GPU加速，以开源形式提供，便于其他电子结构计算代码使用。
摘要：
作者提出了SHarmonic，一种面向电子结构计算的球谐函数的新实现。他们的方法是使用以归一化笛卡尔坐标表示的谐波显式公式。这种方法使得代码在精度上与其他实现相当，同时计算效率至少提高一个数量级。该库还可以在图形处理单元（GPU）上运行，执行速度再提高一个数量级。这一新实现使用简单，并以开源许可证提供，可方便地被其他代码使用，以避免球谐函数实现中容易出错且繁琐的过程。
英文摘要：
The authors present SHarmonic, a new implementation of the spherical harmonics targeted for electronic-structure calculations. Their approach is to use explicit formulas for the harmonics written in terms of normalized Cartesian coordinates. This approach results in a code that is as precise as other implementations while being at least one order of magnitude more computationally efficient. The library can run on graphics processing units (GPUs) as well, achieving an additional order of magnitude in execution speed. This new implementation is simple to use and is provided under an open source license, it can be readily used by other codes to avoid the error-prone and cumbersome implementation of the spherical harmonics.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
