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SPONTANEOUS SYMMETRY BREAKING AND ELECTRON CORRELATION

机译:自发对称性断裂和电子关联

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The Dyson equation and Green's function formalism map the problem of N electrons in the Born-Oppenheimer nuclear field into a one-electron Schrodinger equation problem in quantum chemistry. The mass operator contains the information about electron correlation, and the ground-state energy, electron affinity, and ionization energy of a molecular system. This pseudopotential approach is combined with the random-phase approximation (RPA) method to give a model with spontaneous symmetry breaking, where the relevant features are incorporated in a transparent way. An effective potential is developed consisting of a Hartree-Fock solution with auxiliary fields to probe for deformation instabilities. The model is then connected to a closely related perturbative propagator approach and linked with the configuration interaction formalism. (C) 1997 John Wiley & Sons, Inc. [References: 18]
机译:戴森方程和格林函数形式主义将Born-Oppenheimer核场中的N电子问题映射为量子化学中的单电子Schrodinger方程问题。质量算子包含有关电子相关性以及分子系统的基态能,电子亲和力和电离能的信息。该伪势方法与随机相位近似(RPA)方法相结合,以给出具有自发对称性破坏的模型,其中以透明方式合并了相关特征。开发了一种有效的潜力,其中包括具有辅助磁场的Hartree-Fock解决方案,以探测变形不稳定性。然后将模型连接到一个密切相关的摄动传播器方法,并与配置交互形式主义联系起来。 (C)1997 John Wiley&Sons,Inc. [参考:18]

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