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Reduced model for atomic thermodynamic properties

机译:减少原子热力学性质模型

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A simplified model to calculate partition functions and thermodynamic properties of atomic species is presented. This model consists in grouping the atomic states in few virtual levels. Their statistical weights and energies are calculated summing or mediating over the states belonging to each group. Two- and three-level models are adequate to keep the error within few percent for partition function.
机译:提出了一种计算分区功能和原子物种热力学性质的简化模型。此模型包括在少量虚拟级别中对原子状态进行分组。它们的统计权重和能量是计算求和或在属于每组的状态的求和。两级和三级模型足以使误差在较少的百分比内保持分区功能。

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