From the 1 of 393 papers with an AI index.
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- Scuola Internazionale Superiore di Studi AvanzatiIT103 papers
- University of TriesteIT97 papers
- Elettra-Sincrotrone Trieste S.C.p.A.IT93 papers
- The Abdus Salam International Centre for Theoretical Physics (ICTP)IT71 papers
- Centre National de la Recherche ScientifiqueFR64 papers
- Istituto Officina dei MaterialiIT57 papers
- Scuola Normale SuperioreIT34 papers
- Istituto NanoscienzeIT33 papers
- Sapienza University of RomeIT32 papers
- Istituto Nazionale di Fisica Nucleare, Sezione di TriesteIT24 papers
- National Enterprise for NanoScience and NanoTechnologyIT23 papers
- University of FlorenceIT23 papers
6 papers · 2 filters
GW quasi-particle spectra from occupied states only
P. Umari, G. Stenuit, S. Baroni
We introduce a method that allows for the calculation of quasi-particle spectra in the GW approximation, yet avoiding any explicit reference to empty one-electron states. This is a…
Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
P. Giannozzi, S. Baroni, N. Bonini +30
Quantum ESPRESSO is an open‑source software suite for performing density‑functional theory calculations of electronic structure and materials properties using plane‑wave and pseudo…
GaAs(111)A and B in hydrazine sulfide solutions : extreme polarity dependence of surface adsorption processes
V. L. Berkovits, V. P. Ulin, O. E. Tereshchenko +5
Chemical bonds formed by hydrazine-sulfide treatment of GaAs(111) were studied by synchrotron photoemission spectroscopy. At the B surface, the top arsenic atoms are replaced by ni…
Controlled growth of InAs nanowires on engineered substrates
Stefano Roddaro, Philippe Caroff, Giorgio Biasiol +8
We demonstrate the Au-assisted growth of semiconductor nanowires on different engineered substrates. Two relevant cases are investigated: GaAs/AlGaAs heterostructures capped by a $…
Dynamical chiral symmetry breaking in sliding nanotubes
X. H. Zhang, G. E. Santoro, U. Tartaglino +1
We discovered in simulations of sliding coaxial nanotubes an unanticipated example of dynamical symmetry breaking taking place at the nanoscale. While both nanotubes are perfectly…
Efficient and accurate calculation of exact exchange and RPA correlation energies in the Adiabatic-Connection Fluctuation-Dissipation theory
Huy-Viet Nguyen, Stefano de Gironcoli
Recently there has been a renewed interest in the calculation of exact-exchange and RPA correlation energies for realistic systems. These quantities are main ingredients of the so-…