关于分子的一致量子绝热理论

M. Dugić, J. Jeknić-Dugić
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引用次数: 1

摘要

我们指出了分子量子理论中标准绝热方法的一些不一致之处。作为替代方案,我们开发了一种特殊的方法来克服指定的不一致性。基于这种新方法,一些有趣的物理结果出现在范围内。首先,我们指出绝热方法实质上依赖于分子的状态。例如,该方法将硬晶石构象区分为分子的一种优选状态。其次,核系统有效势的局部极小值的存在成为绝热方法有效的一种必要条件。然而,我们的方法并不能完全回答这个问题
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ON A CONSISTENT QUANTUM ADIABATIC THEORY OF MOLECULES
We point out certain inconsistency in the foundations of the standard adiabatic method in quantum theory of molecules. As an alternative, we develop a particular approach that overcomes the appointed inconsistency. Based on this new approach, some interesting physical results come to the scope. First, we point out that the adiabatic method is substantially state-of-the-molecule dependent. E.g., the method distinguishes the denite conformations as a kind of the preferred states of a molecule. Second, the existence of the local minima for the eective potential for the nuclei system appears as a kind of a necessary condition for the validity of the adiabatic method. However, our approach does not fully answer
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