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Development of a configuration-interaction plus all-order method for atomic calculations

机译:开发用于原子计算的组态交互加全序方法

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摘要

We develop a theoretical method within the framework of relativistic many-body theory to accurately treatcorrelation corrections in atoms with few valence electrons. This method combines the all-order approachcurrently used in precision calculations of properties of monovalent atoms with the configuration-interactionapproach that is applicable for many-electron systems. The method is applied to Mg, Ca, Sr, Zn, Cd, Ba, andHg to evaluate ionization energies and low-lying energy levels.
机译:我们在相对论多体理论的框架内开发了一种理论方法,可以准确地处理价电子很少的原子中的相关校正。该方法将当前在单价原子性质的精确计算中使用的全序方法与适用于多电子系统的构型相互作用方法相结合。该方法适用于Mg,Ca,Sr,Zn,Cd,Ba和Hg,以评估电离能和低能级。

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