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单词 Hydrogen molecular ion
释义

Hydrogen molecular ion

中文百科

氢分子离子 Dihydrogen cation

(重定向自Hydrogen molecular ion)

氢分子离子(H2)是最简单的分子离子。它由两个正的质子和一个负的电子组成,而且可以从一个中性的氢分子的电离形成。化学界对它产生了极大兴趣,因为它只有一个电子。

英语百科

Dihydrogen cation 氢分子离子

(重定向自Hydrogen molecular ion)
 Hydrogen molecular ion H+2 with clamped nuclei A and B, internuclear distance R and plane of symmetry M.
 Energies (E) of the lowest discrete states of the hydrogen molecular ion H+2 as a function of internuclear distance (R) in atomic units. See text for details.

The hydrogen molecular ion, dihydrogen cation, or H+
2
, is the simplest molecular ion. It is composed of two positively charged protons and one negatively charged electron, and can be formed from ionization of a neutral hydrogen molecule. It is of great historical and theoretical interest because, having only one electron, the Schrödinger equation for the system can be solved in a relatively straightforward way due to the lack of electron–electron repulsion (electron correlation). The analytical solutions for the energy eigenvalues are a generalization of the Lambert W function. Thus, the case of clamped nuclei can be completely done analytically using a computer algebra system within an experimental mathematics approach. Consequently, it is included as an example in most quantum chemistry textbooks.

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更新时间:2025/6/18 17:03:42