Nonlocal functionals for exchange and correlation in density functional theory: Application to atoms and to small atomic clusters
International Journal Of Quantum Chemistry 56, 499 - 508 (1995)
Nonlocal functionals for exchange and correlation in density functional theory: Application to atoms and to small atomic clusters
The local density approximation (LDA) to exchange and correlation effects has well-known limitations. The nonlocal weighted density approximation (WDA) corrects some of those defects. This is illustrated here by applications to free atoms and small atomic clusters. The WDA also induces a nonlocal kinetic energy functional that is tested for atoms.