Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
Enkovaara, J, Rostgaard, C, Mortensen, J J, Chen, J, Dułak, M, Ferrighi, L, Gavnholt, J, Glinsvad, C, Haikola, V, Hansen, H A, Kristoffersen, H H, Kuisma, M, Larsen, A H, Lehtovaara, L, Ljungberg, M, Lopez-Acevedo, O, Moses, P G, Ojanen, J, Olsen, T, Petzold, V, Romero, N A, Stausholm-Møller, J, Strange, M, Tritsaris, G A, Vanin, M, Walter, M, Hammer, B, Häkkinen, H, Madsen, G K H, Nieminen, R M, Nørskov, J K, Puska, M, Rantala, T T, Schiøtz, J, Thygesen, K S, Jacobsen, K W
Published in Journal of physics. Condensed matter (30.06.2010)
Published in Journal of physics. Condensed matter (30.06.2010)
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Three real-space discretization techniques in electronic structure calculations
Torsti, T., Eirola, T., Enkovaara, J., Hakala, T., Havu, P., Havu, V., Höynälänmaa, T., Ignatius, J., Lyly, M., Makkonen, I., Rantala, T. T., Ruokolainen, J., Ruotsalainen, K., Räsänen, E., Saarikoski, H., Puska, M. J.
Published in Physica Status Solidi (b) (01.04.2006)
Published in Physica Status Solidi (b) (01.04.2006)
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Conference Proceeding
Band offset determination of the GaAs/GaAsN interface using the density functional theory method
Komsa, H-P, Arola, E, Larkins, E, Rantala, T T
Published in Journal of physics. Condensed matter (06.08.2008)
Published in Journal of physics. Condensed matter (06.08.2008)
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Porphyrin adsorbed on the (1010) surface of the wurtzite structure of ZnO ― conformation induced effects on the electron transfer characteristics
NISKANEN, Mika, KUISMA, Mikael, CRAMARIUC, Oana, GOLOVANOV, Viacheslav, HUKKA, Terttu I, TKACHENKO, Nikolai, RANTALA, Tapio T
Published in Physical chemistry chemical physics : PCCP (28.10.2013)
Published in Physical chemistry chemical physics : PCCP (28.10.2013)
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Anomalous bismuth-stabilized (2x1) reconstructions on GaAs(100) and InP(100) surfaces
Laukkanen, P, Punkkinen, M P J, Komsa, H-P, Ahola-Tuomi, M, Kokko, K, Kuzmin, M, Adell, J, Sadowski, J, Perälä, R E, Ropo, M, Rantala, T T, Väyrynen, I J, Pessa, M, Vitos, L, Kollár, J, Mirbt, S, Johansson, B
Published in Physical review letters (29.02.2008)
Published in Physical review letters (29.02.2008)
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Nitrogen interstitial defects in GaAs
Laaksonen, K, Komsa, H-P, Rantala, T T, Nieminen, R M
Published in Journal of physics. Condensed matter (11.06.2008)
Published in Journal of physics. Condensed matter (11.06.2008)
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TD-DFT Description of Photoabsorption and Electron Transfer in a Covalently Bonded Porphyrin−Fullerene Dyad
Cramariuc, Oana, Hukka, Terttu I, Rantala, Tapio T, Lemmetyinen, Helge
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.11.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.11.2006)
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Journal Article
Effects of solar irradiation on thermally driven CO2 methanation using Ni/CeO2–based catalyst
Golovanova, Viktoria, Spadaro, Maria Chiara, Arbiol, Jordi, Golovanov, Viacheslav, Rantala, Tapio T., Andreu, Teresa, Morante, Joan Ramón
Published in Applied catalysis. B, Environmental (15.08.2021)
Published in Applied catalysis. B, Environmental (15.08.2021)
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Path integrals: From quantum mechanics to photonics
Robson, Charles W., Tamashevich, Yaraslau, Rantala, Tapio T., Ornigotti, Marco
Published in APL photonics (01.07.2021)
Published in APL photonics (01.07.2021)
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Stability of siloxane couplers on pure and fluorine doped SnO2 (110) surface: A first principles study
GOLOVANOV, V, VIITALA, M, KORTELAINEN, T, CRAMARIUC, O, RANTALA, T. T
Published in Surface science (01.09.2010)
Published in Surface science (01.09.2010)
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