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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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1996Multielectron, multichannel problems and their solution to all-orders via the diagonalization of state-specific complex eigenvalue Schrodinger equationsΝικολαΐδης, Κλεάνθης A.; Μερκούρης, Θεόδωρος Δ.; Themelis, SI
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2008A DFT Study of Adsorption of Gallium and Gallium Nitrides on Si(111)Tzeli, Demeter; Θεοδωρακοπούλου, Γιαννούλα; Πετσαλάκης, Ιωάννης Δ.
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2008Ab initio calculation of time-dependent control dynamics in polyelectronic systems involving bound and resonance states: Application to a quartet spectrum of He(-)Κομνηνός, Γιάννης; Μερκούρης, Θεόδωρος Δ.; Νικολαΐδης, Κλεάνθης A.
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2008Empirical functionals for reduced-density-matrix-functional theoryMarques, Miguel A. L.; Λαθιωτάκης, Νεκτάριος N.
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2008Semi-empirical dielectric descriptions of the Bethe surface of the valence bands of condensed waterEmfietzoglou, D.; Abril, I.; Garcia-Molina, R.; Πετσαλάκης, Ιωάννης Δ.; Nikjoo, H.; Kyriakou, I.; Pathak, A.
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2008Benchmark calculations for reduced density-matrix functional theoryΛαθιωτάκης, Νεκτάριος N.; Marques, Miguel A. L.
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2008Structure and energetics of InN and GaN dimersSimova, Lucia; Tzeli, Demeter; Urban, Miroslav; Cernusak, Ivan; Θεοδωρακοπούλου, Γιαννούλα; Πετσαλάκης, Ιωάννης Δ.
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2008Theoretical study on the electronic states of NaLiΠετσαλάκης, Ιωάννης Δ.; Tzeli, Demeter; Θεοδωρακοπούλου, Γιαννούλα
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2008Theoretical study of glass systems using molecular electronic structure theory. 2. Structure and spectroscopy of the B2O3 glassLiakos, D. G.; Σημαντήρας, Eμμανουήλ
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2008Theoretical study of gallium nitride molecules, GaN2 and GaN4Tzeli, Demeter; Θεοδωρακοπούλου, Γιαννούλα; Πετσαλάκης, Ιωάννης Δ.
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2008On the electron correlation effects on electronic and vibrational hyperpolarizability of merocyanine dyesZalesny, Robert; Παπαδόπουλος, Μάνθος Γ.; Bartkowiak, Wojciech; Kaczmarek, Anna
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2008On the origin of the large electron correlation contribution to the hyperpolarizabilities of some diacetylene rare gas compoundsPluta, Tadeusz; Avramopoulos, Aggelos; Παπαδόπουλος, Μάνθος Γ.; Leszczynski, Jerzy
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2008Photoinduced charge transfer in fullerene-donor dyads: A theoretical studyΠετσαλάκης, Ιωάννης Δ.; Θεοδωρακοπούλου, Γιαννούλα
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2009Optical and magnetic properties of boron fullerenesBotti, Silvana; Castro, Alberto; Λαθιωτάκης, Νεκτάριος N.; Andrade, Xavier; Marques, Miguel A. L.
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2009Electron inelastic mean free paths in biological matter based on dielectric theory and local-field correctionsEmfietzoglou, D.; Kyriakou, I.; Abril, I.; Garcia-Molina, R.; Πετσαλάκης, Ιωάννης Δ.; Nikjoo, H.; Pathak, A.
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2009Discontinuity of the chemical potential in reduced-density-matrix-functional theory for open-shell systemsHelbig, N.; Λαθιωτάκης, Νεκτάριος N.; Gross, E. K. U.
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2009Linear and Nonlinear Optical Properties of [60]Fullerene DerivativesLoboda, O.; Zalesny, R.; Avramopoulos, A.; Luis, J. -M.; Kirtman, B.; Ταγματάρχης, Νίκος; Ραϊς, Χεριμπέρτ; Παπαδόπουλος, Μάνθος Γ.
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2009A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systemsΛαθιωτάκης, Νεκτάριος N.; Helbig, N.; Zacarias, A.; Gross, E. K. U.
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2009Refractive index distribution in the non-linear optical layer of thermally poled oxide glassesDussauze, M.; Καμίτσος, Ευστράτιος Ι.; Fargin, E.; Rodriguez, V.
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2009Density-matrix-power functional: Performance for finite systems and the homogeneous electron gasΛαθιωτάκης, Νεκτάριος N.; Sharma, S.; Dewhurst, J. K.; Eich, F. G.; Marques, M. A. L.; Gross, E. K. U.
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