Magnetic coupling in biradicals, binuclear complexes and wide-gap insulators: a survey of ab initio wave function and density functional theory approaches
By Francesc Illas, I. P. R. Moreira, C. de Graaf, Vincenzo Barone. 2000
205 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials
View Paper: https://www.semanticscholar.org/paper/a21bf690ec3b0fd1ff796190bfe0903fc117699b
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In Atomic and Molecular Physics, and Optics
In Electronic, Optical and Magnetic Materials
Citations in the corpus
- Density functional theory: Foundations reviewed (2014, background): “In the case of weakly overlapping left and right orbitals, it is straightforward to show that the energy computed from this ansatz lies exactly in the middle of the singlet–triplet gap [449,450].”