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Alexander Stark1, Nathan Meier1, Jeffrey Hatch1

  • 1Department of Chemistry, University of Michigan, Ann Arbor, Michigan, USA.

概括

这项研究引入了斯莱特基函数的新数值集成方法,大大减少了电子结构模拟中的错误. 这一进步使得对更大的分子进行更准确,更有效的量子化学计算成为可能.

相关概念视频

Trigonometric Substitution01:23

Trigonometric Substitution

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Simpson's Rule I01:26

Simpson's Rule I

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Simpson's Rule II01:28

Simpson's Rule II

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Sums of Power01:22

Sums of Power

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Approximate Integration01:24

Approximate Integration

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Integrals of Powers of Sine and Cosine01:29

Integrals of Powers of Sine and Cosine

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