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Browsing by Keyword "density-functional theory"

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Title: Atomic and electronic transport on surfaces and interfaces Author(s): Hakala, Mikko Date: 2013 Series: Aalto University publication series DOCTORAL DISSERTATIONS, 219/2013 School of Science | Doctoral thesis (article-based) | Defence date: 2014-01-24
Title: Atomic-scale defects in solar cell material CuInSe₂ from hybrid-functional calculations Author(s): Oikkonen, Laura Date: 2013 Series: Aalto University publication series DOCTORAL DISSERTATIONS, 143/2013 School of Science | Doctoral thesis (article-based) | Defence date: 2013-10-09
Title: Broken symmetry in density-functional theory: Analysis and cure Author(s): Harju, A.; Räsänen, E.; Saarikoski, H.; Puska, Martti J.; Nieminen, Risto M.; Niemelä, K. Date: 2004 Series: Physical Review B, Volume 69, Issue 15 School of Science
Title: Computationally efficient implementation of hybrid functionals in SIESTA Author(s): Hakala, Mikko H.; Foster, Adam S. Date: 2013 Series: Aalto University publication series SCIENCE + TECHNOLOGY, 19/2013 School of Science
Title: Defect complexes in silicon : electronic structures and positron annihilation Author(s): Hakala, Mikko Date: 2001-02-09 Series: Dissertations / Laboratory of Physics, Helsinki University of Technology, 111 | Doctoral thesis (article-based)
Title: Density-Functional Computation of Electronic Structure: Screened-Exchange Local-Density Approximation Author(s): Lento, Juha Date: 1997 Helsinki University of Technology | Master's thesis
Title: Detecting stable adsorbates of (1S)-camphor on Cu(111) with Bayesian optimization Author(s): Jarvi, Jari; Rinke, Patrick; Todorovic, Milica Date: 2020-10-19 Series: Beilstein Journal of Nanotechnology, Volume 11
Title: Effect of sodium incorporation into CuInSe2 from first principles Author(s): Oikkonen, L. E.; Ganchenkova, M. G.; Seitsonen, A. P.; Nieminen, Risto M. Date: 2013 Series: Journal of Applied Physics, Volume 114, Issue 8 School of Science
Title: Electron-positron Car-Parrinello methods: Self-consistent treatment of charge densities and ionic relaxations Author(s): Puska, Martti J.; Seitsonen, Ari P.; Nieminen, Risto M. Date: 1995 Series: Physical Review B, Volume 52, Issue 15 School of Science
Title: Electronic properties of nanostructures on solid surfaces Author(s): Hakala, Tero Date: 2005 Helsinki University of Technology | Master's thesis
Title: Electronic properties of non-circular quantum dots Author(s): Räsänen, Esa Date: 2004-05-28 Series: Dissertations / Laboratory of Physics, Helsinki University of Technology, 128 | Doctoral thesis (article-based)
Title: Electronic stopping calculated using explicit phase shift factors Author(s): Sillanpää, J.; Peltola, J.; Nordlund, K.; Keinonen, J.; Puska, Martti J. Date: 2001 Series: Physical Review B, Volume 63, Issue 13 School of Science
Title: Electronic Structure of Quantum Wires Author(s): Torsti, Tuomas Date: 1999 Helsinki University of Technology | Master's thesis
Title: Electronic structure of rectangular quantum dots Author(s): Räsänen, E.; Saarikoski, H.; Stavrou, V. N.; Harju, A.; Puska, Martti J.; Nieminen, Risto M. Date: 2003 Series: Physical Review B, Volume 67, Issue 23 School of Science
Title: Electronic structure of rectangular quantum dots Author(s): Räsänen, Esa; Saarikoski, H.; Stavrou, V.N.; Harju, A.; Puska, M.J.; Nieminen, R.M. Date: 2003-06-10 Series: PHYSICAL REVIEW B, Volume 67, issue 23
Title: Epitaxial hexagonal boron nitride on Ir(111): A work function template Author(s): Schulz, F.; Drost, R.; Hämäläinen, Sampsa; Demonchaux, T.; Seitsonen, A.P.; Liljeroth, P. Date: 2014 Series: PHYSICAL REVIEW B, Volume 89
Title: Exchange-correlation potentials for inhomogeneous electron systems in two dimensions from exact diagonalization: Comparison with the local-spin-density approximation Author(s): Makkonen, I.; Ervasti, M.M.; Kauppila, V.J.; Harju, A. Date: 2012 Series: PHYSICAL REVIEW B, Volume 85
Title: First-principles calculations of native defects in tetrahedrally-coordinated isovalent semiconductors Author(s): Lento, Juha Markus Date: 2003-11-07 Series: Dissertations / Laboratory of Physics, Helsinki University of Technology, 126 | Doctoral thesis (article-based)
Title: LDA+U study of copper indium diselenide: Effect of the U parameter on material properties Author(s): Oikkonen, Laura Date: 2008 Helsinki University of Technology | Master's thesis
Title: Mass transport in CuInSe2 from first principles Author(s): Oikkonen, L. E.; Ganchenkova, M. G.; Seitsonen, A. P.; Nieminen, Risto M. Date: 2013 Series: Journal of Applied Physics, Volume 113, Issue 13 School of Science

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