Nicola Marzari

Publications

1. Accurate potential energy surfaces with a DFT+U(R) approach (2011)
2. Transition-metal dioxides: A case for the intersite term in Hubbard-model functionals (2011)
3. Spatially Extended Kondo State in Magnetic Molecules Induced by Interfacial Charge Transfer (2010)
4. Systematic study of first-row transition-metal diatomic molecules: A self-consistent DFT+U approach (2010)
5. Local Effects in the X-ray Absorption Spectrum of Salt Water (2010)
6. Electronic Structure and Reactivity of Transition Metal Complexes (2010)
7. First-Principles Study of Non-heme Fe(II) Halogenase SyrB2 Reactivity (2009)
8. A self-consistent Hubbard U density-functional theory approach to the addition-elimination reactions of hydrocarbons on bare FeO+ (2008)
9. Density Functional Theory in Transition-Metal Chemistry: A Self-Consistent Hubbard U Approach (2006)