2021
DOI: 10.1103/physrevb.103.134107
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High-precision equation of state benchmark for cryogenic liquid deuterium at ultrahigh pressure

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“…These methods are driven by density functional theory (DFT), where advanced meta-generalized gradient approximation (meta-GGA) exchange-correlation (XC) free energy density functional TSCANL [10], a high-accuracy non-interacting orbital-free free energy density functional LKTFγTF (see details in [7]) is used. Compared to previous models [11][12][13][14][15], iFPEOS showed better agreement with experimental measurements [4,[16][17][18] for temperatures T ∼ 60 000 K and pressures up to P ∼ 200 GPa. However, for higher T − P regimes, iFPEOS fails to close the gap between latest theory and experiment.…”
Section: Introductionmentioning
confidence: 45%
“…These methods are driven by density functional theory (DFT), where advanced meta-generalized gradient approximation (meta-GGA) exchange-correlation (XC) free energy density functional TSCANL [10], a high-accuracy non-interacting orbital-free free energy density functional LKTFγTF (see details in [7]) is used. Compared to previous models [11][12][13][14][15], iFPEOS showed better agreement with experimental measurements [4,[16][17][18] for temperatures T ∼ 60 000 K and pressures up to P ∼ 200 GPa. However, for higher T − P regimes, iFPEOS fails to close the gap between latest theory and experiment.…”
Section: Introductionmentioning
confidence: 45%