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A secondary solution of the Schr?dinger and Klein-Gordon equations in modeling atomic, molecular and electrodynamic systems

机译:模拟原子,分子和电动力系统中的SCENRα的次级解法和Klein-Gordon方程

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We study atomic and molecular (AM) stationary systems and electrodynamic (ED) systems, composed of an electron interacting with an electromagnetic field. We show that the Schr?dinger and Klein-Gordon equations written for these systems have a secondary solution, which is the wave function associated to a classical system. For AM systems, the wave surfaces (Σ surfaces) and their normals (C curves) are solutions of the Hamilton-Jacobi equation, written for the same system. The Σ surfaces have a periodical motion and the C curves are closed. The integral relation of the Schr?dinger equation on the C curve has a solution identical to the wave function associated to the classical motion. This solution leads to the generalized Bohr quantization relation and to the generalized de Broglie relations, which are valid in the space of the electron coordinates. An identical wave function verifies the Klein-Gordon equation, in the case of the EM systems. The above properties lead to a central field method for calculation of the energetic values and symmetry properties for AM systems, whose accuracy is comparable to the accuracy of the Hartree-Fock method. They also lead to an accurate method for modeling EM systems, which is verified by experimental data from the literature. The above properties are deduced without using any approximation.
机译:我们研究了由与电磁场相互作用的电子相互作用组成的原子和分子(AM)固定系统和电动(ED)系统。我们表明SCHR?Dinger和Klein-Gordon方程为这些系统编写的具有辅助解决方案,其是与经典系统相关联的波函数。对于AM系统,波浪表面(Σ表面)及其正规(C曲线)是汉密尔顿 - 雅各比等式的解决方案,为同一系统编写。 Σ表面具有期刊运动,C曲线关闭。 C曲线上的SCHR?Dinger方程的积分关系具有与与经典运动相关联的波函数相同的解决方案。该解决方案导致广泛化BoHR量化关系和广义的De Broglie关系,其在电子坐标的空间中有效。在EM系统的情况下,相同的波函数验证了Klein-Gordon方程。上述性质导致中心现场方法,用于计算AM系统的能量值和对称性,其精度与Hartree-Fock方法的准确性相媲美。它们还会导致模拟EM系统的准确方法,这些方法由来自文献的实验数据验证。在不使用任何近似的情况下推导出上述属性。

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