中文关键词:约翰?爱德华?兰纳-琼斯,分子间力,分子轨道理论,量子化学 英文关键词:JohnEdward Lennard-Jones, intermolecularforces , molecularorbital theory, QuantumChemistry 基金项目: 摘要点击次数:1820 全文下载次数:0 中文摘要: 约翰?爱德华?兰纳-琼斯(1894-1954)是英国杰出的理论化学家。兰纳-琼斯因其在分子结构、原子价和分子间力等方面的研究而闻名,其中最重要的是提出了表达中性原子或分子之间的相互作用的一个简单的数学模型,这个模型被称为兰纳-琼斯势函数(也称L-J势函数或6-12势函数)；他是第一个以目前普遍使用的方式使用原子轨道的线性组合来定量描述分子轨道(LCAO MO理论)的人,被称为分子轨道理论的奠基人之一。本文介绍了约翰?爱德华?兰纳-琼斯的生平,并对兰纳-琼斯提出兰纳-琼斯势函数和建立分子轨道的原子轨道线性组合法的过程进行了详细论述。 英文摘要: John Edward Lennard-Jones was a British eminent theoretical chemist. He is well-known among scientists for his work on molecular structure, valency and intermolecular forces. Most importantly, Lennard-Jones proposed a mathematically simple model that approximates the interaction between a pair of neutral atoms or molecules, this model is the so-called Lennard-Jones potential (also termed the L-J potential, 6-12 potential); he was the first to use the LCAO MO theory in a manner that connects directly to that which is common today, he have been called one of the founding fathers of modern molecular orbital theory. This paper introduces the life of Lennard-Jones, and describes in detail his scientific research process on Lennard-Jones potential and LCAO MO theory． 查看全文查看/发表评论下载PDF阅读器 相关附件：版权转让声明书 -->