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arxiv: 1406.3510 · v1 · pith:MRQKQTM5new · submitted 2014-06-13 · ❄️ cond-mat.str-el

Metallization of atomic solid hydrogen within the extended Hubbard model with renormalized Wannier wave functions

classification ❄️ cond-mat.str-el
keywords metallizationpressureatomiccriticaleffecthydrogenmodelmotion
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We refer to our recent calculations (Eur. Phys. J. B, \textbf{86}, 252 (2013)) of metallization pressure of the three-dimensional simple-cubic crystal of atomic hydrogen and study the effect on the crucial results concocting from approximating the $1s$ Slater-type orbital function with a series of $p$ Gaussians. As a result, we find the critical metallization pressure $p_C = 102\ GPa$. The latter part is a discussion of the influence of zero-point motion on the stabilizing pressure. We show that in our model the estimate magnitude of zero-point motion carries a little effect on the critical metallization pressure at zero temperature.

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