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Chapter Eleven - Excitation Energies of Molecules from Ensemble Density Functional Theory: Multiconfiguration Approaches (2015)
Book Chapter
Pernal, K., Gidopoulos, N. I., & Pastorczak, E. (2015). Chapter Eleven - Excitation Energies of Molecules from Ensemble Density Functional Theory: Multiconfiguration Approaches. In P. E. Hoggan, & T. Ozdogan (Eds.), Electron correlation in molecules – ab initio beyond Gaussian quantum chemistry (199-229). Elsevier. https://doi.org/10.1016/bs.aiq.2015.06.001

Chapter Six – Constrained Local Potentials for Self-Interaction Correction (2015)
Book Chapter
Gidopoulos, N., & Lathiotakis, N. (2015). Chapter Six – Constrained Local Potentials for Self-Interaction Correction. In E. Arimondo, P. R. Berman, & C. Lin (Eds.), Advances in atomic, molecular, and optical physics (129-142). Academic Press. https://doi.org/10.1016/bs.aamop.2015.06.003

In this chapter, we discuss a method to alleviate self-interaction (SI) errors from the approximate Kohn–Sham potential, but without altering the corresponding approximate exchange and correlation energy, which still remains contaminated with SIs. In... Read More about Chapter Six – Constrained Local Potentials for Self-Interaction Correction.