This review provides a perspective on the use of orbital-dependent functionals, which is
currently considered one of the most promising avenues in modern density-functional …

This review discusses progress in efficient solvers which have as their foundation a
representation in real space, either through finite-difference or finite-element formulations …

This book emerged from a course on density functional theory (DFT), first given at the
University of Munich more than a decade ago. The course was based on the classic texts by …

B Supplementary mathematics Page 1 B Supplementary mathematics B.1 Linear operators on
Hilbert space General references [1], [2], [3], [4] B.1.1 Hilbert spaces This appendix summarizes …

This paper is the outgrowth of lectures the author gave at the Physics Institute and the
Chemistry Institute of the University of São Paulo at São Carlos, Brazil, and at the VIII'th …

A serious shortcoming of present Kohn–Sham KS methods employing the local density
approximation LDA or generalized gradient approximations GGAs for the exchange …

For exchange-correlation functionals that depend explicitly on the Kohn-Sham orbitals, the
potential V xc σ (r) must be obtained as the solution of the optimized effective potential (OEP) …

We present an atomic-orbital-based approximate scheme for self-interaction correction (SIC)
to the local-density approximation (LDA) of density-functional theory. The method, based on …

Applying a novel exact-exchange (EXX) approach within time-dependent density-functional
theory, we obtained the optical absorption spectrum of bulk silicon in good agreement with …

Using the optimized effective potential (OEP) method in conjunction with an orbital-
dependent correlation functional developed on the basis of second-order many-body …