分子结构与动力学理论中基本原理的表述问题

L. Gribov, Russian Federation.
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引用次数: 2

摘要

在这篇文章中,讨论了量子力学在微系统功能的实际应用中的一些基本问题。特别是,已经证明,从基本原理出发,不能计算分子中原子的三维构型。为了在这些计算中得到有意义的结果,有关分子构型的经验信息是必要的。讨论了量子化学中变量分离问题。结果表明,电子和
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TO THE PROBLEM OF FORMULATION OF BASIC PRINCIPLES IN THE THEORY OF MOLECULAR STRUCTURE AND DYNAMICS
In this contribution some basic problems of practical applications of quantum mechanics to the functioning of microsystems have been discussed. In particular, it has been shown that starting from fundamental principles one cannot calculate 3D-cinfigurations of atoms in molecules. In order to get meaningful results in these calculations, the empirical information about the configuration of molecule is necessary. The problem of variables separation in quantum chemistry was discussed. It has been shown that the separation of electronic and
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