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2015Spectrum for Nonmagnetic Mott Insulators from Power Functional within Reduced Density Matrix Functional TheoryShinohara Y.; Sharma S.; Shallcross S.; Lathiotakis N.N.; Gross E.K.U.
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2015Doping induced metal-insulator phase transition in NiO - A reduced density matrix functional theory perspectiveShinohara Y.; Sharma S.; Dewhurst J.K.; Shallcross S.; Lathiotakis N.N.; Gross E.K.U.
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2015Graphene allotropes under extreme uniaxial strain: An ab initio theoretical studyFthenakis Z.G.; Lathiotakis N.N.
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2015Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals?Theophilou I.; Lathiotakis N.N.; Gidopoulos N.I.; Rubio A.; Helbig N.
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2015Generalized Pauli constraints in reduced density matrix functional theoryTheophilou I.; Lathiotakis N.N.; Marques M.A.L.; Helbig N.
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2015Constrained Local Potentials for Self-Interaction CorrectionGidopoulos N.; Lathiotakis N.N.N.
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2016Short-range ordering effects on the electronic Bloch spectral function of real materials in the nonlocal coherent-potential approximationMarmodoro A.; Ernst A.; Ostanin S.; Sandratskii L.; Trevisanutto P.E.; Lathiotakis N.N.; Staunton J.B.
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2016Tailoring the spacer type and length in push-pull chromophores. Insights from a systematic theoretical studyKerkines I.S.K.; Lathiotakis N.N.; Theodorakopoulos G.; Petsalakis I.D.
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2016Conditions for Describing Triplet States in Reduced Density Matrix Functional TheoryTheophilou I.; Lathiotakis N.N.; Helbig N.
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2017Structural deformations of two-dimensional planar structures under uniaxial strain: The case of grapheneFthenakis Z.G.; Lathiotakis N.N.
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2017Relating correlation measures: The importance of the energy gapBenavides-Riveros C.L.; Lathiotakis N.N.; Schilling C.; Marques M.A.L.
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2017Atomistic potential for graphene and other sp2 carbon systemsFthenakis Z.G.; Kalosakas G.; Chatzidakis G.D.; Galiotis C.; Papagelis K.; Lathiotakis N.N.
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2017Towards a formal definition of static and dynamic electronic correlationsBenavides-Riveros C.L.; Lathiotakis N.N.; Marques M.A.L.
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2017Electron transfer through organic molecular wires: A theoretical studyLathiotakis N.N.; Theodorakopoulos G.; Petsalakis I.D.
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2017Structural prediction of two-dimensional materials under strainBorlido P.; Steigemann C.; Lathiotakis N.N.; Marques M.A.L.; Botti S.
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2018Performance of the constrained minimization of the total energy in density functional approximations: the electron repulsion density and potentialPitts T.; Gidopoulos N.I.; Lathiotakis N.N.
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2018A torsional potential for graphene derived from fitting to DFT resultsChatzidakis G.D.; Kalosakas G.; Fthenakis Z.G.; Lathiotakis N.N.
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2018Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted studyTheophilou I.; Lathiotakis N.N.; Helbig N.
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2018Theoretical study on perylene derivatives as fluorescent sensors for aminesLathiotakis N.N.; Kerkines I.S.K.; Theodorakopoulos G.; Petsalakis I.D.
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2019Epitaxial highly ordered Sb:SnO2 nanowires grown by the vapor liquid solid mechanism on m-, r- and a-Al2O3Zervos M.; Lathiotakis N.; Kelaidis N.; Othonos A.; Tanasa E.; Vasile E.
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