Open AccessLattice constants from semilocal density functionals with zero-point phonon correction
Author(s) -
Hao Pan,
Yuan Fang,
Jianwei Sun,
Gábor I. Csonka,
Pier Philipsen,
John P. Perdew
Publication year - 2012
Publication title -
physical review. b, condensed matter and materials physics
Language(s) - English
Resource type - Journals
eISSN - 1538-4489
pISSN - 1098-0121
DOI - 10.1103/physrevb.85.014111
Subject(s) - anharmonicity , lattice constant , physics , debye model , condensed matter physics , empty lattice approximation , lattice (music) , phonon , zero point energy , lattice energy , quantum mechanics , debye , lattice field theory , crystal structure , particle in a one dimensional lattice , chemistry , gauge theory , diffraction , acoustics , crystallography