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      Optoelectronics and defect levels in hydroxyapatite by first-principles

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          Generalized Gradient Approximation Made Simple

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            Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

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              Toward reliable density functional methods without adjustable parameters: The PBE0 model

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                Author and article information

                Journal
                The Journal of Chemical Physics
                The Journal of Chemical Physics
                AIP Publishing
                0021-9606
                1089-7690
                April 21 2018
                April 21 2018
                : 148
                : 15
                : 154706
                Affiliations
                [1 ]Department of Physics and I3N, University of Aveiro, Campus Santiago, 3810-193 Aveiro, Portugal
                [2 ]Physics Faculty, Southern Federal University, Zorge Street 5, Rostov-on-Don 344090, Russian Federation
                [3 ]Institute of Mathematical Problems of Biology, Keldysh Institute of Applied Mathematics, Russian Academy of Sciences, Vitkevicha Street 1, Pushchino, 142290 Moscow Region, Russian Federation
                [4 ]Department of Engineering Sciences and Mathematics, Luleå University of Technology, SE-97187 Luleå, Sweden
                Article
                10.1063/1.5025329
                29679976
                131c38fe-6f21-4662-a450-9e9c0ef04c9a
                © 2018
                History

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