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Perspective on “Inhomogeneous electron gas”

Hohenberg P, Kohn W (1964) Phys Rev 136: B864

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Theoretical Chemistry Accounts

Abstract

The Hohenberg—Kohn theorems in “Inhomogeneous electron gas” established a whole new perspective for the study of electronic structure theory and marked the birth of modern density functional theory (DFT). In our view, DFT and wavefunction theories complement each other. Starting with the invention of the Kohn—Sham method a fruitful synthesis of DFT and wavefunction theories took place and the most powerful computational tools currently available are combinations of both methods. The Hohenberg—Kohn theorems inspire the quest for simple density functionals of increased accuracy. We believe that the synthesis of accurate density functionals and computationally efficient wavefunction methods will continue to dominate electronic structure theory.

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References

  1. Lewis GN (1916) J Am Chem Soc 38: 762

    Article  CAS  Google Scholar 

  2. Pauling L (1948) The nature of the chemical bond. Cornell University Press, Ithaca

    Google Scholar 

  3. Schrödinger E (1926) Ann Phys 79: 361

    Article  Google Scholar 

  4. Condon EU (1927) Proc Natl Acad Sci USA 13: 466

    Article  CAS  Google Scholar 

  5. Heitler W, London F (1927) Z Phys 44: 455

    Article  CAS  Google Scholar 

  6. Kohn W, Sham U (1965) Phys Rev 140: A1133

    Article  Google Scholar 

  7. Thomas LH (1927) Proc Camb Philos Soc 23: 542

    Article  CAS  Google Scholar 

  8. Fermi E (1928) Z Phys 48: 73

    Article  CAS  Google Scholar 

  9. Dirac P (1930) Proc Camb Philos Soc 26: 376

    Article  CAS  Google Scholar 

  10. March NH (1957) Adv Phys 6: 1

    Article  Google Scholar 

  11. Parr RG, Yang W (1989) Density-functional theory of’ atoms and molecules. Oxford University Press, Oxford

    Google Scholar 

  12. Slater JC (1951) Phys Rev 81: 385

    Article  CAS  Google Scholar 

  13. Gâspâr R (1954) Acta Phys Acad Sci Hung 3: 263

    Article  Google Scholar 

  14. Levy M (1979) Proc Natl Acad Sci USA 76: 6062

    Article  CAS  Google Scholar 

  15. Levy M (1982) Phys Rev A 26: 1200

    Article  CAS  Google Scholar 

  16. Percus JK (1978) Int J Quantum Chem 13: 89

    Article  CAS  Google Scholar 

  17. Dreizler RM, Gross EKU (1990) Density functional theory. Springer, Berlin Heidelberg New York

    Book  Google Scholar 

  18. Jones RO, Gunnarsson 0 (1989) Rev Mod Phys 61: 689

    Article  CAS  Google Scholar 

  19. Joubert DP (ed) (1998) Density functionals: theory and applications. Lecture notes in physics, vol 500. Springer, Berlin Heidelberg New York

    Google Scholar 

  20. Gunnarsson O, Jonson M, Lundqvist BI (1979) Phys Rev B 20: 3136

    Article  CAS  Google Scholar 

  21. Perdew JP, Kurth S (1998) In: Joubert DP (ed) Lecture notes in physics, vol 500. Density functionals: theory and applications. Springer, Berlin Heidelberg New York, pp 8–59

    Chapter  Google Scholar 

  22. Ernzerhof M, Burke K, Perdew JP (1996) In: Seminario JM (ed) Recent developments and applications of modern density functional theory, theoretical and computational chemistry. Elsevier, Amsterdam, pp 207–238

    Chapter  Google Scholar 

  23. Ernzerhof M, Perdew JP, Burke K (1996) In: Nalewajski R (ed) Topics in current chemistry, vol 180. Density functional theory I. Springer, Berlin Heidelberg New York, pp 1–30

    Chapter  Google Scholar 

  24. Burke K, Perdew JP, Ernzerhof M (1998) J Chem Phys 109: 3760

    Article  CAS  Google Scholar 

  25. Perdew JP, Wang Y (1986) Phys Rev B 33: 8800

    Article  Google Scholar 

  26. Becke AD (1988) Phys Rev A 38: 3098

    Article  CAS  Google Scholar 

  27. Lee C, Yang W, Parr RG (1988) Phys Rev B 37: 785

    Article  CAS  Google Scholar 

  28. Perdew JP (1991) In: Ziesche P, Eschrig H (eds) Electronic structure of solids ‘81. Akademie, Berlin, pp 11–20

    Google Scholar 

  29. Perdew JP, Burke K, Wang Y (1996) Phys Rev B 54: 16533

    Article  CAS  Google Scholar 

  30. (a) Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77: 3865

    Article  Google Scholar 

  31. Perdew JP, Burke K, Ernzerhof M (1997) Phys Rev Lett 78: 1396

    Article  CAS  Google Scholar 

  32. (a) Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C (1992) Phys Rev B 46: 6671;

    Article  Google Scholar 

  33. Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C (1993) Phys Rev B 48: 4978

    Article  CAS  Google Scholar 

  34. Becke AD (1993) J Chem Phys 98: 1372

    Article  CAS  Google Scholar 

  35. Becke AD (1993) J Chem Phys 98: 5648

    Article  CAS  Google Scholar 

  36. Becke AD (1996) J Chem Phys 104: 1040

    Article  CAS  Google Scholar 

  37. Perdew JP, Ernzerhof M, Burke K (1996) J Chem Phys 105: 9982

    Article  CAS  Google Scholar 

  38. Ernzerhof M (1996) Chem Phys Lett 263: 499

    Article  CAS  Google Scholar 

  39. Ernzerhof M, Perdew JP, Burke K (1997) Int J Quantum Chem 64: 285

    Article  CAS  Google Scholar 

  40. Ernzerhof M (1998) In: Joubert DP (ed) Lecture notes in physics, vol 500. Density functionals: theory and applications. Springer, Berlin Heidelberg New York, pp 60–90

    Chapter  Google Scholar 

  41. Ernzerhof M, Scuseria GE (1999) J Chem Phys 110: 5029

    Article  CAS  Google Scholar 

  42. Becke AD, Roussel MR (1989) Phys Rev A 39: 3761

    Article  CAS  Google Scholar 

  43. Becke AD (1994) Int J Quantum Chem Symp 28: 625

    Article  CAS  Google Scholar 

  44. Van Voorhis T, Scuseria GE (1998) J Chem Phys 109: 400

    Article  Google Scholar 

  45. Becke AD (1998) J Chem Phys 109: 2092

    Article  CAS  Google Scholar 

  46. Schmider HL, Becke AD (1998) J Chem Phys 108: 9624

    Article  CAS  Google Scholar 

  47. Perdew JP, Kurth S, Zupan A, Blaha P (1999) Phys Rev Lett 82: 2544

    Article  CAS  Google Scholar 

  48. Ernzerhof M, Scuseria GE (1999) J Chem Phys (in press)

    Google Scholar 

  49. Gross EKU, Kohn W (1990) In: Trickey SB (ed) Advances in quantum chemistry, vol 21. Academic Press, New York, pp 255–291

    Google Scholar 

  50. Gross EKU, Dobson JF, Petersilka M (1996) In: Nalewajski R (ed) Topics in current chemistry. vol 181. Density functional theory II, Springer, Berlin Heidelberg New York, pp 81–160

    Chapter  Google Scholar 

  51. Casida ME (1996) In: Seminario JM (ed) Recent developments and applications of modern density functional theory, theoretical and computational chemistry. Elsevier, Amsterdam, pp 391–434

    Chapter  Google Scholar 

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Author information

Authors and Affiliations

  1. Department of Chemistry, Rice University, P.O. Box 1892, Houston, TX, 77005, USA

    Matthias Ernzerhof & Gustavo E. Scuseria

Authors
  1. Matthias Ernzerhof
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  2. Gustavo E. Scuseria
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Editor information

Editors and Affiliations

  1. Department of Chemistry, University of Minnesota, 207 Pleasant Street SE, 55455-0431, Minneapolis, MN, USA

    Christopher J. Cramer  & Donald G. Truhlar  & 

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Ernzerhof, M., Scuseria, G.E. (2000). Perspective on “Inhomogeneous electron gas”. In: Cramer, C.J., Truhlar, D.G. (eds) Theoretical Chemistry Accounts. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-10421-7_28

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  • DOI: https://doi.org/10.1007/978-3-662-10421-7_28

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-67867-0

  • Online ISBN: 978-3-662-10421-7

  • eBook Packages: Springer Book Archive

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