Correlation energies of inhomogeneous many-electron systems

Article

关键词: DENSITY-FUNCTIONAL THEORY;    VAN-DER-WAALS;    GENERALIZED-GRADIENT APPROXIMATION;    EXCHANGE-CORRELATION ENERGY;    METALLIC DENSITIES;    LINEAR-RESPONSE;    GROUND-STATE;    GAS;    POTENTIALS;    ACCURATE;   

DOI  :  10.1103/PhysRevB.66.081108

来源: SCIE

【 摘 要 】

Using ideas from general density-functional theory, we generalize the uniform-gas correlation-energy formalism of Singwi, Tosi, Land, and Sjolander to the case of an arbitrary inhomogeneous many-particle system. For jellium slabs of finite thickness with a self-consistent local-density approximation ground-state Kohn-Sham potential as input, our numerical results for the correlation energy agree well with diffusion Monte Carlo results. For a helium atom we also obtain a good correlation energy.

【 授权许可】

Free