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| [[Secure:DFT-Theory | DFT teooria]] | | [[Secure:DFT-Theory | DFT teooria]] |
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| Kuulus Hohenberg-Kohni Teoreem: [[Media:Phys-Rev_1964_136_B864_Hohenberg_DFT.pdf|Inhomogeneous Electron Gas]]
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| [http://dx.doi.org/10.1103/PhysRev.136.B864 doi]
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| Kohn-Shami retsept DFT arvutusteks: [[Media:Phys-Rev_1965_140_A1133_Kohn_DFT-calc.pdf|Self-Consistent Equations Including Exchange and Correlation Effects]]
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| [http://dx.doi.org/10.1103/PhysRev.140.A1133 doi]
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| [[Media:J-Phys-Cond-Mat_1997_9_767_Anisimov_DFT-U.pdf|
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| First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA+ U method]]
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| [http://dx.doi.org/10.1088/0953-8984/9/4/002 doi]
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| ''Perioodiliste kristalliarvutuste teooria:''
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| [[Media:Phys-Rev-B_1994_50_17953_Blochl_DFT-PAW.pdf|Projector augmented-wave method ]]
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| [http://dx.doi.org/10.1103/PhysRevB.50.17953 doi]
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| [[Media:Comp-Mat-Sci_1996_6_15_Kresse_VASP-methos.pdf|Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set]]
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| [http://dx.doi.org/10.1016/0927-0256(96)00008-0 doi]
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| [[Media:Phys-Rev-B_1999_59_1758_Kresse_DFT-PAW.pdf|From ultrasoft pseudopotentials to the projector augmented-wave method]]
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| [http://dx.doi.org/10.1103/PhysRevB.59.1758 doi]
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| [[Media:Comp-Phys-Commun_2007_177_6_Hafner_VASP.pdf|Materials simulations using VASP--a quantum perspective to materials science]]
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| [http://dx.doi.org/10.1016/j.cpc.2007.02.045 doi]
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| [[Secure:DFT-project | Projektiga seotud]] | | [[Secure:DFT-project | Projektiga seotud]] |
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| ''Sisuline osa:''
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| [[Media:cm801036k.pdf|Li2MnSiO4 artikkel, http://dx.doi.org/10.1021/cm801036k ]]
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| [[Media:Phys-Rev-B_2006_73_104301_Ceder_DFT-LixFePO4-polarons.pdf|Polaron juhtivuse arvutamine LiFePO4-s, http://dx.doi.org/10.1103/PhysRevB.73.104301 ]]
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| [[Media:Phys-Rev-B_2006_74_ 094105_Ceder_Li-diffusion-cathodes.pdf|Li diffusiooni arvutamine LiMO2-s NEB meetodil, http://dx.doi.org/10.1103/PhysRevB.74.094105 ]]
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| [[Media:Ch7-Dependence-of-Diffusion-on-Temperature-and-Pressure.pdf| Elastsusomaduste definitsioonid, Raamat: http://dx.doi.org/10.1007/0-306-48395-5]]
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| [[Media:J-Appl-Phys_1998_84_4891_Eriksson_DFT-elastic-TiSi2.pdf| Elastsusomaduste arvutamine DFT meetoditega, teooria, http://dx.doi.org/10.1063/1.368733 ]]
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| [[Media:PRB_2006_73_174112_Ceder_DFT-LiFePO4-elastic.pdf| Elastsusomaduste arvutamine DFT meetoditega LiFePO4 jaoks, http://dx.doi.org/10.1103/PhysRevB.73.174112 ]]
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| == Jaasile == | | == Jaasile == |
| [[Võrrandite lahendid]] | | [[Võrrandite lahendid]] |
