基于原子Bohr-Sommerfeld图像的分子成键模型
Model of molecular bonding based on the Bohr-Sommerfeld picture of atoms
摘要:
我们开发了一个模型的基础上的玻尔-索末菲描述的原子与传统的量子力学的约束。该模型能以惊人的精度描述H2、H3等分子的结合能曲线。我们的方法将电子视为点粒子,其位置由代数能量函数的极值决定。我们的约束模型提供了一个物理吸引力,多电子化学键的准确描述。
英文摘要:
We develop a model of molecular binding based on the Bohr-Sommerfeld description of atoms together with a constraint taken from conventional quantum mechanics. The model can describe the binding energy curves of H2, H3 and other molecules with striking accuracy. Our approach treats electrons as point particles with positions determined by extrema of an algebraic energy function. Our constrained model provides a physically appealing, accurate description of multi-electron chemical bonds.
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