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• W2162296239 abstract "We extend the applicability range of fermionic path integral Monte Carlo simulations to heavier elements and lower temperatures by introducing various localized nodal surfaces. Hartree-Fock nodes yield the most accurate prediction for pressure and internal energy, which we combine with the results from density functional molecular dynamics simulations to obtain a consistent equation of state for hot, dense silicon under plasma conditions and in the regime of warm dense matter (2.3-18.6 g cm(-3), 5.0×10(5)-1.3×10(8) K). The shock Hugoniot curve is derived and the structure of the fluid is characterized with various pair correlation functions." @default.
• W2162296239 created "2016-06-24" @default.
• W2162296239 creator A5023169746 @default.
• W2162296239 creator A5056150020 @default.
• W2162296239 date "2015-10-22" @default.
• W2162296239 modified "2023-10-01" @default.
• W2162296239 title "Development of Path Integral Monte Carlo Simulations with Localized Nodal Surfaces for Second-Row Elements" @default.
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• W2162296239 doi "https://doi.org/10.1103/physrevlett.115.176403" @default.
• W2162296239 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26551129" @default.
• W2162296239 hasPublicationYear "2015" @default.
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