J P Perdew and S H Vosko 1976 J. Phys. F: Met. Phys. 6 1421 doi:10.1088/0305-4608/6/8/005
J P Perdew and S H Vosko
Show affiliationsLocal effective electron-ion potentials for metals are constructed from a priori calculations of the electron density around an ion embedded in an electron gas. These effective potentials fold certain higher order contributions to the cohesive energy into a lower order calculation. The dynamical matrix is evaluated to second and third order in the effective potential. When band structure effects are included in the energy denominators of the response functions, the lithium phonon frequencies calculated with no empirical input are in excellent agreement with experiment.
63.20.-e Phonons in crystal lattices
71.20.Dg Alkali and alkaline earth metals
71.45.Gm Exchange, correlation, dielectric and magnetic response functions, plasmons
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
Issue 8 (August 1976)
J P Perdew and S H Vosko 1976 J. Phys. F: Met. Phys. 6 1421
J P Perdew and S H Vosko 1974 J. Phys. F: Met. Phys. 4 380
Fernando Nogueira et al 1996 J. Phys.: Condens. Matter 8 287
J P Perdew 1974 J. Phys. F: Met. Phys. 4 1552
J P Perdew et al 1981 J. Phys. B: At. Mol. Phys. 14 L233
G Dlubek et al 1992 J. Phys.: Condens. Matter 4 6317
J B Dunlop et al 1974 J. Phys. F: Met. Phys. 4 2203
A S Berger and R W Siegel 1979 J. Phys. F: Met. Phys. 9 L67
M Ocko et al 1976 J. Phys. F: Met. Phys. 6 703
C Berthier and M Minier 1973 J. Phys. F: Met. Phys. 3 1268