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Orbital-free density functional theory (English Wikipedia)

Analysis of information sources in references of the Wikipedia article "Orbital-free density functional theory" in English language version.

refsWebsite
Global rank English rank
17doi.org
2nd place
2nd place
12harvard.edu
18th place
17th place
5arxiv.org
69th place
59th place
3nih.gov
4th place
4th place
1semanticscholar.org
11th place
8th place
1gitlab.com
low place
9,569th place
1web.archive.org
1st place
1st place
1rutgers.edu
1,999th place
1,355th place

arxiv.org

doi.org

  • Hohenberg, P.; Kohn, W. (1964). "Inhomogeneous Electron Gas". Physical Review. 136 (3B): B864 – B871. Bibcode:1964PhRv..136..864H. doi:10.1103/PhysRev.136.B864.
  • Thomas, L. H. (1927). "The Calculation of Atomic Fields". Math. Cambridge Philos. Soc. 23 (5): 542–548. Bibcode:1927PCPS...23..542T. doi:10.1017/S0305004100011683.
  • Fermi, E. (1927). "Un Metodo Statistico per la Determinanzione di alcune Prioprieta dell'Atomo". Rend. Accad. Naz. Lincei. 6: 602. doi:10.1007/BF01351576.
  • Weizsäcker, C. F. v. (1935). "Zur Theorie der Kernmassen". Zeitschrift für Physik. 96 (7–8): 431–458. Bibcode:1935ZPhy...96..431W. doi:10.1007/BF01337700. S2CID 118231854.
  • Bartolotti, L. J.; Acharya, P. K. (1982). "On the functional derivative of the kinetic energy density functional". Journal of Chemical Physics. 77 (9): 4576–4585. doi:10.1063/1.444409.
  • Levy, M.; Ou-Yang, H. (1988). "Exact Properties of the Pauli potential for the square root of the electron density and the kinetic energy density functional". Physical Review A. 38: 625. doi:10.1103/PhysRevA.38.625.
  • Smiga, S.; Siecinska, S.; Fabiana, E. (2020). "Methods to generate reference total Pauli and kinetic potentials". Physical Review B. 101: 165144. arXiv:2005.03526. doi:10.1103/PhysRevB.101.165144.
  • Holas, A.; March, N. H. (1991). "Construction of the Pauli potential, Pauli energy, and effective potential from the electron density". Physical Review A. 44 (9): 5521–5536. Bibcode:1991PhRvA..44.5521H. doi:10.1103/PhysRevA.44.5521.
  • Dirac, P. A. M. (1930). "Note on Exchange Phenomena in the Thomas Atom". Proc. Cambridge Philos. Soc. 26 (3): 376–385. Bibcode:1930PCPS...26..376D. doi:10.1017/S0305004100016108.
  • Huang, C.; Carter, E. (2010). "Nonlocal orbital-free kinetic energy density functional for semiconductors". Physical Review B. 81 (4): 045206. Bibcode:2010PhRvB..81d5206H. doi:10.1103/PhysRevB.81.045206.
  • Shao, X.; Mi, W.; Pavanello, M. (2021). "Revised Huang-Carter nonlocal kinetic energy functional for semiconductors and their surfaces". Physical Review B. 104 (4): 044118. Bibcode:2021PhRvB.104d5118S. doi:10.1103/PhysRevB.104.045118.
  • Mi, W.; Genova, A.; Pavanello, M. (2018). "Nonlocal kinetic energy functionals by functional integration". Journal of Chemical Physics. 148 (18): 184107. arXiv:1704.08943. Bibcode:2018JChPh.148r4107M. doi:10.1063/1.5023926. PMID 29764156.
  • Wang, L.-W.; Teter, M. P. (1992). "Kinetic-energy functional of the electron density". Physical Review B. 45 (23): 13196–13220. Bibcode:1992PhRvB..4513196W. doi:10.1103/PhysRevB.45.13196. PMID 10001400.
  • Levy, M; Perdew, J. P.; Sahni, V. (1984). "Exact differential equation for the density and ionization energy of a many-particle system". Physical Review A. 30 (5): 2745–2748. Bibcode:1984PhRvA..30.2745L. doi:10.1103/PhysRevA.30.2745.
  • Lehtomäki J.; Makkonen, I.; Caro, M. A.; Harju, A.; Lopez-Avecedo, O. (2014). "Orbital-free density functional theory implementation with the projector augmented-wave method". Journal of Chemical Physics. 141 (23): 234102. arXiv:1408.4701v2. Bibcode:2014JChPh.141w4102L. doi:10.1063/1.4903450. PMID 25527914.
  • Jiang, K.; Pavanello, M. (2021). "Time-dependent orbital-free density functional theory: Background and Pauli kernel approximations". Physical Review B. 103 (24): 245102. arXiv:2102.06174. Bibcode:2021PhRvB.103x5102J. doi:10.1103/PhysRevB.103.245102.
  • Shao, X.; Jiang, K.; Mi, W.; Genova, A; Pavanello, M. (2021). "DFTpy: An efficient and object-oriented platform for orbital-free DFT simulations". WIREs Comput. Mol. Sci. 11 (1): 1482. arXiv:2002.02985. doi:10.1002/wcms.1482.

gitlab.com

harvard.edu

ui.adsabs.harvard.edu

  • Hohenberg, P.; Kohn, W. (1964). "Inhomogeneous Electron Gas". Physical Review. 136 (3B): B864 – B871. Bibcode:1964PhRv..136..864H. doi:10.1103/PhysRev.136.B864.
  • Thomas, L. H. (1927). "The Calculation of Atomic Fields". Math. Cambridge Philos. Soc. 23 (5): 542–548. Bibcode:1927PCPS...23..542T. doi:10.1017/S0305004100011683.
  • Weizsäcker, C. F. v. (1935). "Zur Theorie der Kernmassen". Zeitschrift für Physik. 96 (7–8): 431–458. Bibcode:1935ZPhy...96..431W. doi:10.1007/BF01337700. S2CID 118231854.
  • Holas, A.; March, N. H. (1991). "Construction of the Pauli potential, Pauli energy, and effective potential from the electron density". Physical Review A. 44 (9): 5521–5536. Bibcode:1991PhRvA..44.5521H. doi:10.1103/PhysRevA.44.5521.
  • Dirac, P. A. M. (1930). "Note on Exchange Phenomena in the Thomas Atom". Proc. Cambridge Philos. Soc. 26 (3): 376–385. Bibcode:1930PCPS...26..376D. doi:10.1017/S0305004100016108.
  • Huang, C.; Carter, E. (2010). "Nonlocal orbital-free kinetic energy density functional for semiconductors". Physical Review B. 81 (4): 045206. Bibcode:2010PhRvB..81d5206H. doi:10.1103/PhysRevB.81.045206.
  • Shao, X.; Mi, W.; Pavanello, M. (2021). "Revised Huang-Carter nonlocal kinetic energy functional for semiconductors and their surfaces". Physical Review B. 104 (4): 044118. Bibcode:2021PhRvB.104d5118S. doi:10.1103/PhysRevB.104.045118.
  • Mi, W.; Genova, A.; Pavanello, M. (2018). "Nonlocal kinetic energy functionals by functional integration". Journal of Chemical Physics. 148 (18): 184107. arXiv:1704.08943. Bibcode:2018JChPh.148r4107M. doi:10.1063/1.5023926. PMID 29764156.
  • Wang, L.-W.; Teter, M. P. (1992). "Kinetic-energy functional of the electron density". Physical Review B. 45 (23): 13196–13220. Bibcode:1992PhRvB..4513196W. doi:10.1103/PhysRevB.45.13196. PMID 10001400.
  • Levy, M; Perdew, J. P.; Sahni, V. (1984). "Exact differential equation for the density and ionization energy of a many-particle system". Physical Review A. 30 (5): 2745–2748. Bibcode:1984PhRvA..30.2745L. doi:10.1103/PhysRevA.30.2745.
  • Lehtomäki J.; Makkonen, I.; Caro, M. A.; Harju, A.; Lopez-Avecedo, O. (2014). "Orbital-free density functional theory implementation with the projector augmented-wave method". Journal of Chemical Physics. 141 (23): 234102. arXiv:1408.4701v2. Bibcode:2014JChPh.141w4102L. doi:10.1063/1.4903450. PMID 25527914.
  • Jiang, K.; Pavanello, M. (2021). "Time-dependent orbital-free density functional theory: Background and Pauli kernel approximations". Physical Review B. 103 (24): 245102. arXiv:2102.06174. Bibcode:2021PhRvB.103x5102J. doi:10.1103/PhysRevB.103.245102.

nih.gov

pubmed.ncbi.nlm.nih.gov

rutgers.edu

dftpy.rutgers.edu

semanticscholar.org

api.semanticscholar.org

web.archive.org