为具有约束力的距离 D 的一例 H2 + 函数绑定能源我要分享

Binding Energy as Function of the Binding Distance

函数 具有 距离 绑定 能源 约束力

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中文说明:一个可以开发一个直观的分子轨道和化学键是通过考虑最简单的分子,氢气+。此离子由一个单一的电子的静电引力共同持有的2个质子。明确两个质子,2个正电荷,相互废止。质子必须被一个有吸引力的库仑力共同作用,以对抗斥力的库仑力。一个负电荷密度两者之间的质子会产生所需的反作用的库仑力需要拉的质子一起。因此,直观地,创建一个化学键的2个质子或2个带正电荷的原子核,它们之间的负电荷的高密度是必要的。我们期待我们发现的分子轨道,以反映这种直观的概念。


English Description:

One can develop an intuitive sense of molecular orbitals and what a chemical bond is by considering the simplest molecule, H2+. This ion consists of two protons held together by the electrostatic force of a single electron. Clearly the two protons, two positive charges, repeal each other. The protons must be held together by an attractive Coulomb force that opposes the repulsive Coulomb force. A negative charge density between the two protons would produce the required counter-acting Coulomb force needed to pull the protons together. So intuitively, to create a chemical bond between two protons or two positively charged nuclei, a high density of negative charge between them is needed. We expect the molecular orbitals that we find to reflect this intuiti


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