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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Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method REVIEW ARTICLE
Enkovaara, J, Rostgaard, C, Mortensen, J J, Chen, J, Dulak, 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-Moller, J, Strange, M, Tritsaris, G A, Vanin, M, Walter, M, Hammer, B, Hakkinen, H, Madsen, G K H, Nieminen, R M, Norskov, J K, Puska, M, Rantala, T T, Schiotz, 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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Journal Article
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 (10.06.2010)
Published in Journal of physics. Condensed matter (10.06.2010)
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A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states
Angeli, Celestino, Borini, Stefano, Ferrighi, Lara, Cimiraglia, Renzo
Published in Journal of molecular structure. Theochem (31.03.2005)
Published in Journal of molecular structure. Theochem (31.03.2005)
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