Connections between second-order Görling–Levy and many-body perturbation approaches in density functional theory

Stanislav Ivanov, So Hirata, Ireneusz Grabowski, Rodney J. Bartlett
2003 Journal of Chemical Physics  
Formal connections between the high-density scaling limit of the correlation energy functional E c ͓n͔ in density functional theory and second-order energy expressions from different perturbation theory formulations are presented. It is demonstrated that the second-order correlation potential considered by Grabowski et al. ͓J. Chem. Phys. 116, 4415 ͑2002͔͒ is equivalent to the high-density limit of the exact correlation potential, and thus provides the first self-consistent finite-basis-set
more » ... ementation of a Kohn-Sham ͑KS͒ potential correct through second-order. A different second-order correlation functional based on the exchange-only KS approach is introduced. It is shown that this second-order correlation functional leads to the same self-consistent KS realization as the one derived from the second-order component of E c ͓n͔.
doi:10.1063/1.1522570 fatcat:texauskvjrdphfm7zfzjc4dnjm