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19942026
most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations

Showing 2005Show all

7 papers · 1 filter

math.CT2005

Support varieties - an ideal approach

Aslak Bakke Buan, Henning Krause, Øyvind Solberg

We define support varieties in an axiomatic setting using the prime spectrum of a lattice of ideals. A key observation is the functoriality of the spectrum and that this functor ad…

cs.LO2005★ 38 cited

Real Hypercomputation and Continuity

Martin Ziegler

By the sometimes so-called 'Main Theorem' of Recursive Analysis, every computable real function is necessarily continuous. We wonder whether and which kinds of HYPERcomputation all…

cond-mat.mes-hall2005★ 91 cited

Recent advances in exciton based quantum information processing in quantum dot nanostructures

H. J. Krenner, S. Stufler, M. Sabathil +6

Recent experimental developments in the field of semiconductor quantum dot spectroscopy will be discussed. First we report about single quantum dot exciton two-level systems and th…

cond-mat.dis-nn2005★ 10 cited

Influence of copper on the electronic properties of amorphous chalcogenides

S. I. Simdyankin, M. Elstner, T. A. Niehaus +2

We have studied the influence of alloying copper with amorphous arsenic sulfide on the electronic properties of this material. In our computer-generated models, copper is found in…

physics.comp-ph2005★ 47 cited

Analysis of band-gap formation in squashed arm-chair CNT

H. Mehrez, A. Svizhenko, M. P. Anantram +2

The electronic properties of squashed arm-chair carbon nanotubes are modeled using constraint free density functional tight binding molecular dynamics simulations. Independent from…

cond-mat.mtrl-sci2005★ 290 cited

Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound semiconductors

Patrick Rinke, Abdallah Qteish, Joerg Neugebauer +2

We report quasiparticle-energy calculations of the electronic bandstructure as measured by valence-band photoemission for selected II-VI compounds and group-III-nitrides. By applyi…