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.

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  • 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.

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  • 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.

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