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Calculation of Bond-length, Bond-energy and Force Constant of Hydrogen Molecule by Classical Mechanics

Calculation of Bond-length, Bond-energy and Force Constant of Hydrogen Molecule by Classical Mechanics
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摘要 Until recently the hydrogen molecule structural parameters are calculated with the methods of quantum mechanics. To achieve results close to experimental values, the wave function used is complicated and has no clear physical meaning. Because the distribution of the electron probability density is a statistical rule, the macro time has actually been used in the concept on a electron cloud graph. Here are obtained three formulas with a classical mechanics method on the bond length r e , bond energy D e and force constant k of the ground state hydrogen molecule, which have a clear physical meaning but no artificial parameters, and compared with experimental values, the relative errors are respectively less than 1%, 2% and 4%. Until recently the hydrogen molecule structural parameters are calculated with the methods of quantum mechanics. To achieve results close to experimental values, the wave function used is complicated and has no clear physical meaning. Because the distribution of the electron probability density is a statistical rule, the macro time has actually been used in the concept on a electron cloud graph. Here are obtained three formulas with a classical mechanics method on the bond length r e , bond energy D e and force constant k of the ground state hydrogen molecule, which have a clear physical meaning but no artificial parameters, and compared with experimental values, the relative errors are respectively less than 1%, 2% and 4%.
作者 ChenJing
出处 《工程科学(英文版)》 2004年第2期44-47,共4页 Engineering Sciences
关键词 氢分子 结合长度 结合能 量子化学 化学键 作用力常数 hydrogen molecule bond length bond energy force constant
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参考文献9

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