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

preprint2014arXivOpen access

Abstract

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 1s1s Slater-type orbital function with a series of pp Gaussians. As a result, we find the critical metallization pressure pC=102 GPap_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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