296 citations · 966 across the 12 of their papers we have counts for
13 papers
koopmans: an open-source package for accurately and efficiently predicting spectral properties with Koopmans functionals
Edward Linscott, Nicola Colonna, Riccardo De Gennaro +5
Over the past decade we have developed Koopmans functionals, a computationally efficient approach for predicting spectral properties with an orbital-density-dependent functional fr…
First-principles photoemission spectroscopy of DNA and RNA nucleobases from Koopmans-compliant functionals
Ngoc Linh Nguyen, Giovanni Borghi, Andrea Ferretti +1
The need to interpret ultraviolet photoemission data strongly motivates the refinement of first-principles techniques able to accurately predict spectral properties. In this work w…
Photoemission Spectroscopy and Orbital Imaging from Koopmans-Compliant Functionals
Ngoc Linh Nguyen, Giovanni Borghi, Andrea Ferretti +2
The determination of spectral properties from first principles can provide powerful connections between microscopic theoretical predictions and experimental data, but requires comp…
Koopmans-compliant functionals and their performance against reference molecular data
Giovanni Borghi, Andrea Ferretti, Ngoc Linh Nguyen +2
Koopmans-compliant functionals emerge naturally from extending the constraint of piecewise linearity of the total energy as a function of the number of electrons to each fractional…
Self-consistent Gutzwiller study of bcc Fe: interplay of ferromagnetic order and kinetic energy
Giovanni Borghi, Michele Fabrizio, Erio Tosatti
The Gutzwiller technique has long been known as a method to include correlations in electronic structure calculations. Here we implement an ab-initio Gutzwiller+LDA calculation, an…
Compressibility of bilayer graphene
Giovanni Borghi, Marco Polini, Reza Asgari +1
Bilayer graphene is a recently isolated and intriguing class of many-body systems with massive chiral quasiparticles. We present theoretical results for the electronic compressibil…