J P Perdew and L A Cole 1982 J. Phys. C: Solid State Phys. 15 L905 doi:10.1088/0022-3719/15/26/004
On the local density approximation for Breit interaction
J P Perdew and L A Cole
Show affiliationsThe large relative error of the local density approximation for the transverse-photon-electron or Breit energy in atoms and solids is shown to arise from spurious self-interaction of the 1s electrons. Orbital self-interaction correction dramatically reduces this error. On the other hand, the large relative error of the local density approximation for the Breit contribution to the 2s electron removal energy is almost unchanged by self-interaction correction.
- PACS
-
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
71.20.-b Electron density of states and band structure of crystalline solids
- Subjects
- Dates
-
Issue 26 (20 September 1982)
-
On the local density approximation for Breit interaction
J P Perdew and L A Cole 1982 J. Phys. C: Solid State Phys. 15 L905
-
Physics of lattice relaxation at aluminium surfaces
J P Perdew and R Monnier 1980 J. Phys. F: Met. Phys. 10 L287
-
Phonon frequencies of lithium from a local effective potential
J P Perdew and S H Vosko 1976 J. Phys. F: Met. Phys. 6 1421
-
Calculation of the band structure, Fermi surface, and interband optical conductivity of lithium
J P Perdew and S H Vosko 1974 J. Phys. F: Met. Phys. 4 380
-
Transferability of a local pseudopotential based on solid-state electron density
Fernando Nogueira et al 1996 J. Phys.: Condens. Matter 8 287
-
Simple analytic mode for the hyperfine contact density in a metal
J P Perdew 1974 J. Phys. F: Met. Phys. 4 1552
-
Density functional theory of autodetaching states
J P Perdew et al 1981 J. Phys. B: At. Mol. Phys. 14 L233
-
Positron studies of precipitation phenomena in Al-Li and in Al-LI-X (X=Cu, Mg or Sc) alloys
G Dlubek et al 1992 J. Phys.: Condens. Matter 4 6317
-
Dilute intermetallic compounds. II. Properties of aluminium rich aluminium-transition metal phases
J B Dunlop et al 1974 J. Phys. F: Met. Phys. 4 2203
-
Vacancy-scandium interaction in quenched copper
A S Berger and R W Siegel 1979 J. Phys. F: Met. Phys. 9 L67
Users also read
What's this?Related review articles
What's this?-
methods in electronic structure calculations
- Calculation of dispersion energies
- Correlation effects in transition metals and their alloys studied using the fully self-consistent KKR-based LSDA + DMFT scheme