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- W2001947802 abstract "Quantum mechanical molecular dynamics simulations have been performed in order to understand the structure and dynamics of hot, dense hydrogen. Both density functional and tight-binding methods were employed to represent the interatomic forces. Pair-correlation functions and self-diffusion coefficients are compared with other models over a range of temperatures (1--5 eV) and densities (0.1--3 g/${mathrm{cm}}^{3}$). We find that quantum mechanical many-body interactions are crucial to modeling this regime. In addition, we examine transient phenomena and find evidence for short-lived complexes even at high temperatures." @default.
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- W2001947802 date "1994-06-01" @default.
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- W2001947802 title "Molecular dynamics simulations of hot, dense hydrogen" @default.
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- W2001947802 doi "https://doi.org/10.1103/physreve.49.r4771" @default.
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