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Hypernetted Chain Calculations for Multi-Component Plasmas in pyPRISM

Open YSLan0530 opened this issue 3 years ago • 2 comments

Hi I am a new user of pyPRISM and integral equation theory. thus my question may look simple, sorry about that in advance. I have the following question. I would like to calculate the pair correlation function g(r) and partial structure factors S(k) of multi-component particles under high temperature-pressure through the HNC. In this state, the ionization Q for each species are evaluated at the density corresponding to the volume and at temperature. In the examples that I saw and the referenced papers, the input of HNC calculation does not have temperature and ionization options. Can pyPRISM consider the pair correlation functions of multi-component particles in a partially ionized state at high temperature-pressure, and I need at least three components

thank you for your response

YSLan0530 avatar Mar 17 '21 08:03 YSLan0530