Abstract

An exact expression for the exchange-correlation (xc) energy of density functional theory in terms of the one-particle Green’s function and the xc part of the self-energy is derived. An exact diagrammatic representation of the xc self-energy is given. Employing this representation, an approximate scheme to calculate the xc energy and the xc potential is proposed. This scheme can be viewed as an extension of the exchange-only optimized-effective-potential method to treat correlation in a systentatic manner.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call