Many-body perturbation theory calculations using the yambo code

Davide Sangalli, Andrea Ferretti, Henrique Miranda, +17

Journal of Physics Condensed Matter

Numerical AnalysisEngineeringOptical AbsorptionComputational ChemistryGeometric Singular Perturbation Theory +15

Electronic Structure of Atomically Precise Graphene Nanoribbons

Pascal Ruffieux, Jinming Cai, N. C. Plumb, +8

ACS Nano

Materials ScienceGraphene NanomeshesGraphene-based Nano-antennasEngineeringElectronic Materials +12

Koopmans’ condition for density-functional theory

Ismaïla Dabo, Andrea Ferretti, Nicolas Poilvert, +3

Physical Review B

EngineeringFractional OccupationComputational ChemistryChemistryFunctional Analysis +15

Exciton-dominated optical response of ultra-narrow graphene nanoribbons

R. Denk, M. Hohage, P. Zeppenfeld, +12

Nature Communications

Graphene Quantum DotEngineeringApplied PhysicsQuantum MaterialsExciton-dominated Optical Response +2

Mixing of Electronic States in Pentacene Adsorption on Copper

Andrea Ferretti, Chiara Baldacchini, Arrigo Calzolari, +4

Physical Review Letters

Pentacene AdsorptionOrganic Charge-transfer CompoundChemical EngineeringEngineeringSurface Chemistry +12

Koopmans-compliant functionals and their performance against reference molecular data

Giovanni Borghi, Andrea Ferretti, Ngoc Linh Nguyen, +2

Physical Review B

Total EnergyEngineeringPhysicsNatural SciencesKoopmans-compliant Functionals +12

Quantum mechanical and semiclassical dynamics at a conical intersection

Andrea Ferretti, Giovanni Granucci, A. Lami, +2

The Journal of Chemical Physics

Quantum DynamicQuantum ScienceConical IntersectionWave-packet DynamicsEngineering +10

Probing the mechanism for graphene nanoribbon formation on gold surfaces through X-ray spectroscopy

Arunabh Batra, D. Cvetko, Gregor Kladnik, +7

Chemical Science

Materials ScienceGraphene NanomeshesGraphene-based Nano-antennasNanosheetX-ray Spectroscopy +13

Effective and accurate representation of extended Bloch states on finite Hilbert spaces

Luis A. Agapito, Andrea Ferretti, Arrigo Calzolari, +2

Physical Review B

First-Principles Theory of Correlated Transport through Nanojunctions

Andrea Ferretti, Arrigo Calzolari, Rosa Di Felice, +4

Physical Review Letters

EngineeringEffective TransmittanceCorrelated TransportStrongly Correlated Electron SystemsElectronic Structure +16