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Composite-system models

机译:复合系统模型

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Composite many-electron systems are considered in terms of the wavefunctions for the different component subsystems (e.g., atoms). In this weak-interaction limit, there may be degrees of freedom, which arise from that of the degeneracies of the wave-functions for each of the isolated subsystems, and which then are describable in terms of an effective Hamiltonian for the couplings and liftings of these degeneracies in the composite system. The representation of an ordinary Schr?dinger Hamiltonian in such a 0-order model space is developed in the context of an example of a (possibly macroscopically large) set of H atoms interacting with one another, to obtain a Heisenberg spin-Hamiltonian, which is formally "complete" in not neglecting any higher-order permutations. At the same time, the interactions are hierarchically ordered to manifest the more important ones first, all in a "linked" size-consistent manner, avoiding various earlier-encountered "catastrophes." A classical electrostatic interpretation of the higher order exchange matrix elements is made, and some novel spin-coupling dependences are found with a decay like an inverse power-law range (rather than exponential).
机译:根据不同组分子系统(例如原子)的波函数来考虑复合多电子系统。在这个弱相互作用极限中,可能存在自由度,这是由每个孤立子系统的波函​​数简并性引起的,然后根据有效的哈密顿量来描述自由度。这些退化在复合系统中。在这样一个0阶模型空间中普通Schr?dinger哈密顿量的表示是在一组(可能是宏观上大)H原子相互作用的例子的背景下发展的,以获得一个海森堡自旋哈密顿量,在不忽略任何高阶排列的情况下是正式的“完整”。同时,交互以层次结构排序,以便首先以“链接”的大小一致方式显示更重要的交互,从而避免了各种较早遇到的“灾难”。进行了对高阶交换矩阵元素的经典静电解释,并发现了一些新颖的自旋耦合相关性,并且具有类似幂幂反比范围(而不是指数范围)的衰减。

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