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Теорія функціонала густини (Ukrainian Wikipedia)

Analysis of information sources in references of the Wikipedia article "Теорія функціонала густини" in Ukrainian language version.

refsWebsite
Global rank Ukrainian rank
28doi.org
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19harvard.edu
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12nih.gov
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5web.archive.org
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3arxiv.org
69th place
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2univie.ac.at
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1worldcat.org
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1aip.org
2,204th place
4,508th place
1springerlink.com
2,569th place
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1springer.comФ
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1springer.com
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1aps.org
1,503rd place
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1wiley.com
222nd place
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aip.org

scitation.aip.org

aps.org

link.aps.org

arxiv.org

  • Assadi, M.H.N та ін. (2013). Theoretical study on copper's energetics and magnetism in TiO2 polymorphs. Journal of Applied Physics. 113 (23): 233913. arXiv:1304.1854. Bibcode:2013JAP...113w3913A. doi:10.1063/1.4811539.
  • K. Koshelev (2015). About density functional theory interpretation. arXiv:0812.2919 [quant-ph].
  • K. Koshelev (2007). Alpha variation problem and q-factor definition. arXiv:0707.1146 [physics.atom-ph].

doi.org

  • Assadi, M.H.N та ін. (2013). Theoretical study on copper's energetics and magnetism in TiO2 polymorphs. Journal of Applied Physics. 113 (23): 233913. arXiv:1304.1854. Bibcode:2013JAP...113w3913A. doi:10.1063/1.4811539.
  • Van Mourik, Tanja; Gdanitz, Robert J. (2002). A critical note on density functional theory studies on rare-gas dimers. Journal of Chemical Physics. 116 (22): 9620—9623. Bibcode:2002JChPh.116.9620V. doi:10.1063/1.1476010.
  • Vondrášek, Jiří; Bendová, Lada; Klusák, Vojtěch; Hobza, Pavel (2005). Unexpectedly strong energy stabilization inside the hydrophobic core of small protein rubredoxin mediated by aromatic residues: correlated ab initio quantum chemical calculations. Journal of the American Chemical Society. 127 (8): 2615—2619. doi:10.1021/ja044607h. PMID 15725017.
  • Grimme, Stefan (2006). Semiempirical hybrid density functional with perturbative second-order correlation. Journal of Chemical Physics. 124 (3): 034108. Bibcode:2006JChPh.124c4108G. doi:10.1063/1.2148954. PMID 16438568.
  • Zimmerli, Urs; Parrinello, Michele; Koumoutsakos, Petros (2004). Dispersion corrections to density functionals for water aromatic interactions. Journal of Chemical Physics. 120 (6): 2693—2699. Bibcode:2004JChPh.120.2693Z. doi:10.1063/1.1637034. PMID 15268413.
  • Grimme, Stefan (2004). Accurate description of van der Waals complexes by density functional theory including empirical corrections. Journal of Computational Chemistry. 25 (12): 1463—1473. doi:10.1002/jcc.20078. PMID 15224390.
  • Von Lilienfeld, O. Anatole; Tavernelli, Ivano; Rothlisberger, Ursula; Sebastiani, Daniel (2004). Optimization of effective atom centered potentials for London dispersion forces in density functional theory. Physical Review Letters. 93 (15): 153004. Bibcode:2004PhRvL..93o3004V. doi:10.1103/PhysRevLett.93.153004. PMID 15524874.
  • Tkatchenko, Alexandre; Scheffler, Matthias (2009). Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data. Physical Review Letters. 102 (7): 073005. Bibcode:2009PhRvL.102g3005T. doi:10.1103/PhysRevLett.102.073005. PMID 19257665.
  • Hohenberg, Pierre; Walter Kohn (1964). Inhomogeneous electron gas. Physical Review. 136 (3B): B864—B871. Bibcode:1964PhRv..136..864H. doi:10.1103/PhysRev.136.B864.
  • Levy, Mel (1979). Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem. Proceedings of the National Academy of Sciences. United States National Academy of Sciences. 76 (12): 6062—6065. Bibcode:1979PNAS...76.6062L. doi:10.1073/pnas.76.12.6062.
  • Vignale, G.; Mark Rasolt (1987). Density-functional theory in strong magnetic fields. Physical Review Letters. American Physical Society. 59 (20): 2360—2363. Bibcode:1987PhRvL..59.2360V. doi:10.1103/PhysRevLett.59.2360. PMID 10035523.
  • Kohn, W.; Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review. 140 (4A): A1133—A1138. Bibcode:1965PhRv..140.1133K. doi:10.1103/PhysRev.140.A1133.
  • M. Brack (1983), Virial theorems for relativistic spin-½ and spin-0 particles, Phys. Rev. D, 27: 1950, doi:10.1103/physrevd.27.1950
  • Kieron Burke; Lucas O. Wagner (2013). DFT in a nutshell. International Journal of Quantum Chemistry. 113 (2): 96. doi:10.1002/qua.24259.
  • John P. Perdew; Adrienn Ruzsinszky; Jianmin Tao; Viktor N. Staroverov; Gustavo Scuseria; Gábor I. Csonka (2005). Prescriptions for the design and selection of density functional approximations: More constraint satisfaction with fewer fits. Journal of Chemical Physics. 123 (6): 062201. Bibcode:2005JChPh.123f2201P. doi:10.1063/1.1904565. PMID 16122287.
  • Becke, Axel D. (14 травня 2014). Perspective: Fifty years of density-functional theory in chemical physics. The Journal of Chemical Physics. 140 (18): 18A301. Bibcode:2014JChPh.140rA301B. doi:10.1063/1.4869598. ISSN 0021-9606. PMID 24832308. Архів оригіналу за 15 серпня 2016. Процитовано 11 квітня 2017.
  • Perdew, John P; Chevary, J A; Vosko, S H; Jackson, Koblar, A; Pederson, Mark R; Singh, D J; Fiolhais, Carlos (1992). Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. Physical Review B. 46 (11): 6671. Bibcode:1992PhRvB..46.6671P. doi:10.1103/physrevb.46.6671.
  • Becke, Axel D (1988). Density-functional exchange-energy approximation with correct asymptotic behavior. Physical Review A. 38 (6): 3098. Bibcode:1988PhRvA..38.3098B. doi:10.1103/physreva.38.3098. PMID 9900728.
  • Langreth, David C; Mehl, M J (1983). Beyond the local-density approximation in calculations of ground-state electronic properties. Physical Review B. 28 (4): 1809. Bibcode:1983PhRvB..28.1809L. doi:10.1103/physrevb.28.1809.
  • Grayce, Christopher; Robert Harris (1994). Magnetic-field density-functional theory. Physical Review A. 50 (4): 3089—3095. Bibcode:1994PhRvA..50.3089G. doi:10.1103/PhysRevA.50.3089. PMID 9911249.
  • Viraht, Xiao-Yin (2012). Hohenberg-Kohn theorem including electron spin. Physical Review A. 86 (4): 042502. Bibcode:2012PhRvA..86d2502P. doi:10.1103/physreva.86.042502.
  • Segall, M.D.; Lindan, P.J (2002). First-principles simulation: ideas, illustrations and the CASTEP code. Journal of Physics: Condensed Matter. 14 (11): 2717. Bibcode:2002JPCM...14.2717S. doi:10.1088/0953-8984/14/11/301.
  • Hanaor, Dorian A. H.; Assadi, Mohammed H. N.; Li, Sean; Yu, Aibing; Sorrell, Charles C. (2012). Ab initio study of phase stability in doped TiO2. Computational Mechanics. 50 (2): 185—194. doi:10.1007/s00466-012-0728-4.[недоступне посилання]
  • Somayeh. F. Rastegar, Hamed Soleymanabadi (1 січня 2014). Theoretical investigation on the selective detection of SO2 molecule by AlN nanosheets. Journal of Molecular Modeling. 20 (9). doi:10.1007/s00894-014-2439-6.[недоступне посилання з липня 2019]
  • Somayeh F. Rastegar, Hamed Soleymanabadi (1 січня 2013). DFT studies of acrolein molecule adsorption on pristine and Al- doped graphenes. Journal of Molecular Modeling. 19 (9): 3733—40. doi:10.1007/s00894-013-1898-5. PMID 23793719. Архів оригіналу за 16 січня 2017. Процитовано 12 квітня 2017.
  • Music, D.; Geyer, R.W.; Schneider, J.M. (2016). Recent progress and new directions in density functional theory based design of hard coatings. Surface & Coatings Technology. 286: 178. doi:10.1016/j.surfcoat.2015.12.021.
  • Topp, William C.; Hopfield, John J. (15 лютого 1973). Chemically Motivated Pseudopotential for Sodium. Physical Review B. 7 (4): 1295—1303. Bibcode:1973PhRvB...7.1295T. doi:10.1103/PhysRevB.7.1295.
  • Michelini, M. C.; Pis Diez, R.; Jubert, A. H. (25 червня 1998). A Density Functional Study of Small Nickel Clusters. International Journal of Quantum Chemistry. 70 (4–5): 694. doi:10.1002/(SICI)1097-461X(1998)70:4/5<693::AID-QUA15>3.0.CO;2-3. Архів оригіналу за 31 жовтня 2016. Процитовано 21 жовтня 2016.

harvard.edu

ui.adsabs.harvard.edu

  • Assadi, M.H.N та ін. (2013). Theoretical study on copper's energetics and magnetism in TiO2 polymorphs. Journal of Applied Physics. 113 (23): 233913. arXiv:1304.1854. Bibcode:2013JAP...113w3913A. doi:10.1063/1.4811539.
  • Van Mourik, Tanja; Gdanitz, Robert J. (2002). A critical note on density functional theory studies on rare-gas dimers. Journal of Chemical Physics. 116 (22): 9620—9623. Bibcode:2002JChPh.116.9620V. doi:10.1063/1.1476010.
  • Grimme, Stefan (2006). Semiempirical hybrid density functional with perturbative second-order correlation. Journal of Chemical Physics. 124 (3): 034108. Bibcode:2006JChPh.124c4108G. doi:10.1063/1.2148954. PMID 16438568.
  • Zimmerli, Urs; Parrinello, Michele; Koumoutsakos, Petros (2004). Dispersion corrections to density functionals for water aromatic interactions. Journal of Chemical Physics. 120 (6): 2693—2699. Bibcode:2004JChPh.120.2693Z. doi:10.1063/1.1637034. PMID 15268413.
  • Von Lilienfeld, O. Anatole; Tavernelli, Ivano; Rothlisberger, Ursula; Sebastiani, Daniel (2004). Optimization of effective atom centered potentials for London dispersion forces in density functional theory. Physical Review Letters. 93 (15): 153004. Bibcode:2004PhRvL..93o3004V. doi:10.1103/PhysRevLett.93.153004. PMID 15524874.
  • Tkatchenko, Alexandre; Scheffler, Matthias (2009). Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data. Physical Review Letters. 102 (7): 073005. Bibcode:2009PhRvL.102g3005T. doi:10.1103/PhysRevLett.102.073005. PMID 19257665.
  • Hohenberg, Pierre; Walter Kohn (1964). Inhomogeneous electron gas. Physical Review. 136 (3B): B864—B871. Bibcode:1964PhRv..136..864H. doi:10.1103/PhysRev.136.B864.
  • Levy, Mel (1979). Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem. Proceedings of the National Academy of Sciences. United States National Academy of Sciences. 76 (12): 6062—6065. Bibcode:1979PNAS...76.6062L. doi:10.1073/pnas.76.12.6062.
  • Vignale, G.; Mark Rasolt (1987). Density-functional theory in strong magnetic fields. Physical Review Letters. American Physical Society. 59 (20): 2360—2363. Bibcode:1987PhRvL..59.2360V. doi:10.1103/PhysRevLett.59.2360. PMID 10035523.
  • Kohn, W.; Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review. 140 (4A): A1133—A1138. Bibcode:1965PhRv..140.1133K. doi:10.1103/PhysRev.140.A1133.
  • John P. Perdew; Adrienn Ruzsinszky; Jianmin Tao; Viktor N. Staroverov; Gustavo Scuseria; Gábor I. Csonka (2005). Prescriptions for the design and selection of density functional approximations: More constraint satisfaction with fewer fits. Journal of Chemical Physics. 123 (6): 062201. Bibcode:2005JChPh.123f2201P. doi:10.1063/1.1904565. PMID 16122287.
  • Becke, Axel D. (14 травня 2014). Perspective: Fifty years of density-functional theory in chemical physics. The Journal of Chemical Physics. 140 (18): 18A301. Bibcode:2014JChPh.140rA301B. doi:10.1063/1.4869598. ISSN 0021-9606. PMID 24832308. Архів оригіналу за 15 серпня 2016. Процитовано 11 квітня 2017.
  • Perdew, John P; Chevary, J A; Vosko, S H; Jackson, Koblar, A; Pederson, Mark R; Singh, D J; Fiolhais, Carlos (1992). Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. Physical Review B. 46 (11): 6671. Bibcode:1992PhRvB..46.6671P. doi:10.1103/physrevb.46.6671.
  • Becke, Axel D (1988). Density-functional exchange-energy approximation with correct asymptotic behavior. Physical Review A. 38 (6): 3098. Bibcode:1988PhRvA..38.3098B. doi:10.1103/physreva.38.3098. PMID 9900728.
  • Langreth, David C; Mehl, M J (1983). Beyond the local-density approximation in calculations of ground-state electronic properties. Physical Review B. 28 (4): 1809. Bibcode:1983PhRvB..28.1809L. doi:10.1103/physrevb.28.1809.
  • Grayce, Christopher; Robert Harris (1994). Magnetic-field density-functional theory. Physical Review A. 50 (4): 3089—3095. Bibcode:1994PhRvA..50.3089G. doi:10.1103/PhysRevA.50.3089. PMID 9911249.
  • Viraht, Xiao-Yin (2012). Hohenberg-Kohn theorem including electron spin. Physical Review A. 86 (4): 042502. Bibcode:2012PhRvA..86d2502P. doi:10.1103/physreva.86.042502.
  • Segall, M.D.; Lindan, P.J (2002). First-principles simulation: ideas, illustrations and the CASTEP code. Journal of Physics: Condensed Matter. 14 (11): 2717. Bibcode:2002JPCM...14.2717S. doi:10.1088/0953-8984/14/11/301.
  • Topp, William C.; Hopfield, John J. (15 лютого 1973). Chemically Motivated Pseudopotential for Sodium. Physical Review B. 7 (4): 1295—1303. Bibcode:1973PhRvB...7.1295T. doi:10.1103/PhysRevB.7.1295.

nih.gov

pubmed.ncbi.nlm.nih.gov

springer.com

link.springer.com

springer.comФ

link.springer.comФ

springerlink.com

  • Hanaor, Dorian A. H.; Assadi, Mohammed H. N.; Li, Sean; Yu, Aibing; Sorrell, Charles C. (2012). Ab initio study of phase stability in doped TiO2. Computational Mechanics. 50 (2): 185—194. doi:10.1007/s00466-012-0728-4.[недоступне посилання]

univie.ac.at

cms.mpi.univie.ac.at

web.archive.org

wiley.com

onlinelibrary.wiley.com

worldcat.org