Communication: Self-interaction correction with unitary invariance in density functional theory

Electric control of a{Fe4}single-molecule magnet in a single-electron transistor

(2014) J. F. Nossa et al.   PHYSICAL REVIEW B

Effect of geometrical orientation on the charge-transfer energetics of supramolecular (tetraphenyl)-porphyrin/C60 dyads

(2013) Marco Olguin et al.   JOURNAL OF CHEMICAL PHYSICS

SplitGAS Method for Strong Correlation and the Challenging Case of Cr2

(2013) Giovanni Li Manni et al.   Journal of Chemical Theory and Computation

Self-interaction correction in a real-time Kohn-Sham scheme: Access to difficult excitations in time-dependent density functional theory

(2012) D. Hofmann et al.   JOURNAL OF CHEMICAL PHYSICS

The effect of the Perdew-Zunger self-interaction correction to density functionals on the energetics of small molecules

(2012) Simon Klüpfel et al.   JOURNAL OF CHEMICAL PHYSICS

Importance of complex orbitals in calculating the self-interaction-corrected ground state of atoms

(2011) Simon Klüpfel et al.   PHYSICAL REVIEW A

Strongly Correlated Electrons in the[Ni(hmp)(ROH)X]4Single Molecule Magnet: ADFT+UStudy

(2008) Chao Cao et al.   PHYSICAL REVIEW LETTERS

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE