zero-temperature enthalpy energy differences / vibrational free energy / free-energy calculations / enthalpy energy difference / quasiharmonic free energy / energy region / energy convergence / energy-band gap / large energy cutoffs / energy interval / hexagonal network / enthalpy energy differences / free energy / improved pressure-transmitting media / bulk systems / energy intervals / rare-gas / conjugate-gradient algorithm / maximum energy cutoff / metallic and semimetallic systems / exchange-correlation energy / energy-band gaps / electronic zero-temperature energy / vibrational energy / ionic vibrational free-energy difference / energy calculations / chemical precompression / electronic energy / enthalpy energy / plane-wave energy cutoff / ionic free-energy / energy differences / pressure-transmitting media / Energy results / energy / /
OperatingSystem
DOS / Fermi / /
Organization
Universitat de Valencia / Department of Earth Sciences / U.S. Securities and Exchange Commission / /
PHYSICAL REVIEW B 80, 064105 共2009兲 High-pressure phases, vibrational properties, and electronic structure of Ne(He)2 and Ar(He)2: A first-principles study C. Cazorla,1,2 D. Errandonea,3 and E. Sola2 1