We study the contribution of electron-atom interaction to the equation of state for partially ionized hydrogen plasma using the cluster-virial expansion. For the first time, we use the Beth-Uhlenbeck approach to calculate the second virial coefficient for the electron-atom (bound cluster) pair from the corresponding scattering phase-shifts and binding energies. Experimental scattering cross-sections as well as phase-shifts calculated on the basis of different pseudopotential models are used as an input for the Beth-Uhlenbeck formula. By including Pauli blocking and screening in the phase-shift calculation, we generalize the cluster-virial expansion in order to cover also near solid density plasmas. We present results for the electron-atom contribution to the virial expansion and the corresponding equation of state, i.e. pressure, composition, and chemical potential as a function of density and temperature. These results are compared with semi-empirical approaches to the thermodynamics of partially ionized plasmas. Avoiding any ill-founded input quantities, the Beth-Uhlenbeck second virial coefficient for the electron-atom interaction represents a benchmark for other, semi-empirical approaches.
The virial expansion of the Hydrogen equation of state in comparison to PIMC simulations: the quasiparticle concept, IPD, and ionization degree
Institute of Physics, University of Rostock（罗斯托克大学物理研究所）；National Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics（计算物理国家重点实验室，应用物理与计算数学研究所）；Institute of Physics, Humboldt University Berlin（柏林洪堡大学物理研究所）
Quantum Molecular Dynamics of Partially Ionized Plasmas
采用基于波包的量子分子动力学方法研究了部分电离氢等离子体。我们引入一个新的模型，区分自由和束缚电子。自由电子被模拟为具有固定宽度的高斯波包。对于束缚态，假定氢原子的1 s-波函数。在我们的模拟中，我们得到的热力学性质的平衡，如内能和电离度。电离度与理论预测吻合得很好。在10000 K < T <40000 K时，热力学函数与量子统计结果符合得很好。
A study of the electronic and ionic structure, for competing states of fully and partially ionized hydrogen, using the neutral pseudo-atom method as well as a classical map for the electron subsystem
Modeling partially-ionized dense plasma using wavepacket molecular dynamics
University of Oxford（牛津大学）；Center for Advanced Systems Understand (CASUS)（高级系统理解中心）；Helmholtz-Zentrum Dresden-Rossendorf (HZDR)（德累斯顿-罗斯多夫亥姆霍兹中心）；AWE（英国原子武器研究局）
