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Updated: Jan 16, 2026

Spatial Separation of Molecular Conformers and Clusters
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一个基于网格的测量器不变的施罗丁格方程在强磁场中的二原子分子的非扰动性解决方案

Nikhil Yenugu1, Ashwani K Tiwari1, Sangita Sen1

  • 1Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur, West Bengal 741246, India.

Journal of chemical theory and computation
|September 28, 2025
PubMed
概括

这项研究引入了一种使用威尔逊哈密尔顿式来计算强磁场中的分子光谱的新量子方法. 这种方法准确地模拟了像H2这样的二原子分子,使得对各种场强度和方向的准确预测成为可能.

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