密度汎関数理論 (Japanese Wikipedia)

Analysis of information sources in references of the Wikipedia article "密度汎関数理論" in Japanese language version.

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  • Hohenberg, Pierre; Walter Kohn (1964). “Inhomogeneous electron gas”. Phys. Rev. 136 (3B): B864–B871. Bibcode1964PhRv..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”. Proc. Natl. Acad. Sci. USA 76 (12): 6062–6065. Bibcode1979PNAS...76.6062L. doi:10.1073/pnas.76.12.6062. 
  • Vignale, G.; Mark Rasolt (1987). “Density-functional theory in strong magnetic fields”. Phys. Rev. Lett. 59 (20): 2360–2363. Bibcode1987PhRvL..59.2360V. doi:10.1103/PhysRevLett.59.2360. PMID 10035523. 
  • 高橋 英明「連載: QM/MM 法と溶液の理論の融合による凝縮系の化学過程の自由エネルギー計算 (18) —凝縮系の第一原理計算の方法論について—」『アンサンブル』第16巻第1号、2014年、51–54頁、doi:10.11436/mssj.16.51 
  • Burke, Kieron; Wagner, Lucas O. (2013). “DFT in a nutshell”. International Journal of Quantum Chemistry 113 (2): 96. doi:10.1002/qua.24259. 
  • Perdew, John P.; Ruzsinszky, Adrienn; Tao, Jianmin; Staroverov, Viktor N.; Scuseria, Gustavo; Csonka, Gábor I. (2005). “Prescriptions for the design and selection of density functional approximations: More constraint satisfaction with fewer fits”. Journal of Chemical Physics 123 (6): 062201. Bibcode2005JChPh.123f2201P. doi:10.1063/1.1904565. PMID 16122287. 
  • Chachiyo, Teepanis (2016). “Communication: Simple and accurate uniform electron gas correlation energy for the full range of densities”. Journal of Chemical Physics 145 (2): 021101. Bibcode2016JChPh.145b1101C. doi:10.1063/1.4958669. PMID 27421388. 
  • Fitzgerald, Richard J. (2016). “A simpler ingredient for a complex calculation”. Physics Today 69 (9): 20. Bibcode2016PhT....69i..20F. doi:10.1063/PT.3.3288. 
  • Jitropas, Ukrit; Hsu, Chung-Hao (2017). “Study of the first-principles correlation functional in the calculation of silicon phonon dispersion curves”. Japanese Journal of Applied Physics 56 (7): 070313. Bibcode2017JaJAP..56g0313J. doi:10.7567/JJAP.56.070313. 
  • Becke, Axel D. (2014-05-14). “Perspective: Fifty years of density-functional theory in chemical physics”. The Journal of Chemical Physics 140 (18): A301. Bibcode2014JChPh.140rA301B. doi:10.1063/1.4869598. ISSN 0021-9606. PMID 24832308. 
  • 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): 6671–6687. Bibcode1992PhRvB..46.6671P. doi:10.1103/physrevb.46.6671. hdl:10316/2535. PMID 10002368. 
  • Becke, Axel D. (1988). “Density-functional exchange-energy approximation with correct asymptotic behavior”. Physical Review A 38 (6): 3098–3100. Bibcode1988PhRvA..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. Bibcode1983PhRvB..28.1809L. doi:10.1103/physrevb.28.1809. 
  • Tao, Jianmin; Perdew, John P.; Staroverov, Viktor N.; Scuseria, Gustavo E. (2003). “Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids”. Physical Review Letters 91 (14). doi:10.1103/PhysRevLett.91.146401. PMID 14611541. 

handle.net

hdl.handle.net

harvard.edu

ui.adsabs.harvard.edu

  • Hohenberg, Pierre; Walter Kohn (1964). “Inhomogeneous electron gas”. Phys. Rev. 136 (3B): B864–B871. Bibcode1964PhRv..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”. Proc. Natl. Acad. Sci. USA 76 (12): 6062–6065. Bibcode1979PNAS...76.6062L. doi:10.1073/pnas.76.12.6062. 
  • Vignale, G.; Mark Rasolt (1987). “Density-functional theory in strong magnetic fields”. Phys. Rev. Lett. 59 (20): 2360–2363. Bibcode1987PhRvL..59.2360V. doi:10.1103/PhysRevLett.59.2360. PMID 10035523. 
  • Perdew, John P.; Ruzsinszky, Adrienn; Tao, Jianmin; Staroverov, Viktor N.; Scuseria, Gustavo; Csonka, Gábor I. (2005). “Prescriptions for the design and selection of density functional approximations: More constraint satisfaction with fewer fits”. Journal of Chemical Physics 123 (6): 062201. Bibcode2005JChPh.123f2201P. doi:10.1063/1.1904565. PMID 16122287. 
  • Chachiyo, Teepanis (2016). “Communication: Simple and accurate uniform electron gas correlation energy for the full range of densities”. Journal of Chemical Physics 145 (2): 021101. Bibcode2016JChPh.145b1101C. doi:10.1063/1.4958669. PMID 27421388. 
  • Fitzgerald, Richard J. (2016). “A simpler ingredient for a complex calculation”. Physics Today 69 (9): 20. Bibcode2016PhT....69i..20F. doi:10.1063/PT.3.3288. 
  • Jitropas, Ukrit; Hsu, Chung-Hao (2017). “Study of the first-principles correlation functional in the calculation of silicon phonon dispersion curves”. Japanese Journal of Applied Physics 56 (7): 070313. Bibcode2017JaJAP..56g0313J. doi:10.7567/JJAP.56.070313. 
  • Becke, Axel D. (2014-05-14). “Perspective: Fifty years of density-functional theory in chemical physics”. The Journal of Chemical Physics 140 (18): A301. Bibcode2014JChPh.140rA301B. doi:10.1063/1.4869598. ISSN 0021-9606. PMID 24832308. 
  • 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): 6671–6687. Bibcode1992PhRvB..46.6671P. doi:10.1103/physrevb.46.6671. hdl:10316/2535. PMID 10002368. 
  • Becke, Axel D. (1988). “Density-functional exchange-energy approximation with correct asymptotic behavior”. Physical Review A 38 (6): 3098–3100. Bibcode1988PhRvA..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. Bibcode1983PhRvB..28.1809L. doi:10.1103/physrevb.28.1809. 

nih.gov

pubmed.ncbi.nlm.nih.gov

  • Vignale, G.; Mark Rasolt (1987). “Density-functional theory in strong magnetic fields”. Phys. Rev. Lett. 59 (20): 2360–2363. Bibcode1987PhRvL..59.2360V. doi:10.1103/PhysRevLett.59.2360. PMID 10035523. 
  • Perdew, John P.; Ruzsinszky, Adrienn; Tao, Jianmin; Staroverov, Viktor N.; Scuseria, Gustavo; Csonka, Gábor I. (2005). “Prescriptions for the design and selection of density functional approximations: More constraint satisfaction with fewer fits”. Journal of Chemical Physics 123 (6): 062201. Bibcode2005JChPh.123f2201P. doi:10.1063/1.1904565. PMID 16122287. 
  • Chachiyo, Teepanis (2016). “Communication: Simple and accurate uniform electron gas correlation energy for the full range of densities”. Journal of Chemical Physics 145 (2): 021101. Bibcode2016JChPh.145b1101C. doi:10.1063/1.4958669. PMID 27421388. 
  • Becke, Axel D. (2014-05-14). “Perspective: Fifty years of density-functional theory in chemical physics”. The Journal of Chemical Physics 140 (18): A301. Bibcode2014JChPh.140rA301B. doi:10.1063/1.4869598. ISSN 0021-9606. PMID 24832308. 
  • 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): 6671–6687. Bibcode1992PhRvB..46.6671P. doi:10.1103/physrevb.46.6671. hdl:10316/2535. PMID 10002368. 
  • Becke, Axel D. (1988). “Density-functional exchange-energy approximation with correct asymptotic behavior”. Physical Review A 38 (6): 3098–3100. Bibcode1988PhRvA..38.3098B. doi:10.1103/physreva.38.3098. PMID 9900728. 
  • Tao, Jianmin; Perdew, John P.; Staroverov, Viktor N.; Scuseria, Gustavo E. (2003). “Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids”. Physical Review Letters 91 (14). doi:10.1103/PhysRevLett.91.146401. PMID 14611541. 

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