6533b857fe1ef96bd12b3c07
RESEARCH PRODUCT
Density-Functional Theory of Quantum Freezing: Sensitivity to Liquid-State Structure and Statistics
P. NielabaAlan R. DentonN. W. Ashcroftsubject
PhysicsStatistical Mechanics (cond-mat.stat-mech)PhononFOS: Physical sciencesCondensed Matter PhysicsLinear response function01 natural sciences010305 fluids & plasmassymbols.namesakeQuantum mechanics0103 physical sciencessymbolsFeynman diagramGeneral Materials ScienceDensity functional theoryFermi liquid theory010306 general physicsStructure factorQuantumCondensed Matter - Statistical MechanicsCluster expansiondescription
Density-functional theory is applied to compute the ground-state energies of quantum hard-sphere solids. The modified weighted-density approximation is used to map both the Bose and the Fermi solid onto a corresponding uniform Bose liquid, assuming negligible exchange for the Fermi solid. The required liquid-state input data are obtained from a paired phonon analysis and the Feynman approximation, connecting the static structure factor and the linear response function. The Fermi liquid is treated by the Wu-Feenberg cluster expansion, which approximately accounts for the effects of antisymmetry. Liquid-solid transitions for both systems are obtained with no adjustment of input data. Limited quantitative agreement with simulation indicates a need for further improvement of the liquid-state input through practical alternatives to the Feynman approximation.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1997-03-17 |