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Ημερομηνία	Τίτλος	Δημιουργός
1996	Multielectron, multichannel problems and their solution to all-orders via the diagonalization of state-specific complex eigenvalue Schrodinger equations	Nicolaides, Cleanthes A.; Mercouris, Theodoros D.; Themelis, SI
2008	A DFT Study of Adsorption of Gallium and Gallium Nitrides on Si(111)	Tzeli, Demeter; Theodorakopoulos, Giannoula; Petsalakis, Ioannis D.
2008	Ab initio calculation of time-dependent control dynamics in polyelectronic systems involving bound and resonance states: Application to a quartet spectrum of He(-)	Komninos, Yannis; Mercouris, Theodoros D.; Nicolaides, Cleanthes A.
2008	Empirical functionals for reduced-density-matrix-functional theory	Marques, Miguel A. L.; Lathiotakis, Nektarios N.
2008	Semi-empirical dielectric descriptions of the Bethe surface of the valence bands of condensed water	Emfietzoglou, D.; Abril, I.; Garcia-Molina, R.; Petsalakis, Ioannis D.; Nikjoo, H.; Kyriakou, I.; Pathak, A.
2008	Benchmark calculations for reduced density-matrix functional theory	Lathiotakis, Nektarios N.; Marques, Miguel A. L.
2008	Structure and energetics of InN and GaN dimers	Simova, Lucia; Tzeli, Demeter; Urban, Miroslav; Cernusak, Ivan; Theodorakopoulos, Giannoula; Petsalakis, Ioannis D.
2008	Theoretical study on the electronic states of NaLi	Petsalakis, Ioannis; Tzeli, Demeter ; Theodorakopoulos, Giannoula
2008	Theoretical study of glass systems using molecular electronic structure theory. 2. Structure and spectroscopy of the B2O3 glass	Liakos, D. G.; Simandiras, Emmanuel D.
2008	Theoretical study of gallium nitride molecules, GaN2 and GaN4	Tzeli, Demeter; Theodorakopoulos, Giannoula; Petsalakis, Ioannis D.
2008	On the electron correlation effects on electronic and vibrational hyperpolarizability of merocyanine dyes	Zalesny, Robert; Papadopoulos, Manthos G.; Bartkowiak, Wojciech; Kaczmarek, Anna
2008	On the origin of the large electron correlation contribution to the hyperpolarizabilities of some diacetylene rare gas compounds	Pluta, Tadeusz; Avramopoulos, Aggelos; Papadopoulos, Manthos G.; Leszczynski, Jerzy
2008	Photoinduced charge transfer in fullerene-donor dyads: A theoretical study	Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula
2009	Optical and magnetic properties of boron fullerenes	Botti, Silvana; Castro, Alberto; Lathiotakis, Nektarios N.; Andrade, Xavier; Marques, Miguel A. L.
2009	Electron inelastic mean free paths in biological matter based on dielectric theory and local-field corrections	Emfietzoglou, D.; Kyriakou, I.; Abril, I.; Garcia-Molina, R.; Petsalakis, Ioannis D.; Nikjoo, H.; Pathak, A.
2009	Discontinuity of the chemical potential in reduced-density-matrix-functional theory for open-shell systems	Helbig, N.; Lathiotakis, Nektarios N.; Gross, E. K. U.
2009	Linear and Nonlinear Optical Properties of [60]Fullerene Derivatives	Loboda, O.; Zalesny, R.; Avramopoulos, A.; Luis, J. -M.; Kirtman, B.; Tagmatarchis, Nikos; Reis, Heribert; Papadopoulos, Manthos G.
2009	A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems	Lathiotakis, Nektarios N.; Helbig, N.; Zacarias, A.; Gross, E. K. U.
2009	Refractive index distribution in the non-linear optical layer of thermally poled oxide glasses	Dussauze, M.; Kamitsos, Efstratios I.; Fargin, E.; Rodriguez, V.
2009	Density-matrix-power functional: Performance for finite systems and the homogeneous electron gas	Lathiotakis, Nektarios N.; Sharma, S.; Dewhurst, J. K.; Eich, F. G.; Marques, M. A. L.; Gross, E. K. U.

Αποτελέσματα 1 έως 20 από 61 επόμενο >