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Applications of Density Functional Theory in Chemistry

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Density Functional Theory

Part of the book series: NATO ASI Series ((NSSB,volume 337))

Abstract

Because the ground-state energy functional E[ρ] discussed by W. Kohn in his lectures in this Volume is not known, it will be useful to begin the discussion of the applications to atomic ions and to molecules by considering one-electron functionals.

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References

  1. C.F. von Weizsäcker, Zeits für Phys. 96, 431 (1935).

    Article  ADS  MATH  Google Scholar 

  2. K.A. Dawson and N.H. March, J.Chem.Phys. 81, 5850 (1984).

    Article  MathSciNet  ADS  Google Scholar 

  3. A. Holas and N.H. March, Phys.Rev. A44, 5521 (1991).

    ADS  Google Scholar 

  4. A. Nagy and N.H. March, Phys.Rev. A39, 5512 (1989).

    ADS  Google Scholar 

  5. A. Holas, N.H. March, Y. Takahashi and C. Zhang, Phys.Rev.A (1993) to appear.

    Google Scholar 

  6. LH. Thomas, Proc.Camb.Phil.Soc. 23, 542 (1926).

    Article  ADS  Google Scholar 

  7. E. Fermi, Zeits für Phys. 48, 73 (1928).

    Article  ADS  MATH  Google Scholar 

  8. P.C. Hohenberg and W. Kohn, Phys.Rev. 136, B864 (1964).

    Article  MathSciNet  ADS  Google Scholar 

  9. P.A.M. Dirac, Proc.Camb.Phil.Soc. 26, 376 (1930).

    Article  ADS  MATH  Google Scholar 

  10. P. Gombás, Die Statistiche Theories des Atoms und ihre Anwendungen (Springer: Vienna, 1948).

    Google Scholar 

  11. E.P. Wigner and F. Seitez, Phys.Rev. 46, 509 (1934).

    Article  ADS  Google Scholar 

  12. E.A. Hylleraas, Zeits für Phys. 65, 209 (1930).

    Article  ADS  MATH  Google Scholar 

  13. D. Layzer, Annals of Phys. 8, 271 (1959).

    Article  MathSciNet  ADS  MATH  Google Scholar 

  14. T. Kato, Commun. Pure Appl. Math. 10, 151 (1957).

    Article  MATH  Google Scholar 

  15. N.H. March, Phys.Rev. A33, 88 (1986).

    MathSciNet  ADS  Google Scholar 

  16. R.A. Ballinger and N.H. March, Phil.Mag. 46, 246 (1955).

    Google Scholar 

  17. J.M.C. Scott, Phil.Mag. 43, 859 (1952).

    Google Scholar 

  18. A. Sommerfeld, Zeits für Phys. 78, 283 (1932).

    Article  ADS  Google Scholar 

  19. N.H. March and R.G. Parr, Proc.Nat.Acad.Sci.USA., 77, 6285 (1980).

    Article  ADS  Google Scholar 

  20. E.A. Milne, Proc.Camb.Phil.Soc. 23, 794 (1927).

    Article  ADS  MATH  Google Scholar 

  21. N.H. March and R.J. White, J.Phys. B5, 466 (1972).

    ADS  Google Scholar 

  22. Y. Tal, PJ. Grout and N.H. March, J.Chem.Phys. 79, 331 (1983).

    Article  ADS  Google Scholar 

  23. CA. Coulson and N.H. March, Proc.Phys.Soc. A63, 367 (1950).

    ADS  Google Scholar 

  24. P.K. Chattaraj, A. Mukherjee, M.P. Das and B.M. Deb, Proc.lndian Acad. Sci.(Chem.Sci.), 96, 231 (1986).

    Article  Google Scholar 

  25. N.H. March and J.S. Plaskett, Proc.Roy.Soc. A235, 419 (1956).

    MathSciNet  ADS  Google Scholar 

  26. B.G. Englert and J. Schwinger, Phys.Rev. A32, 26 (1985).

    ADS  Google Scholar 

  27. M. Levy and J.P. Perdew, Phys.Rev. B23, 5048 (1981).

    ADS  Google Scholar 

  28. N.H. March and P. Wind, Mol.Phys. 77, 91 (1992).

    Article  Google Scholar 

  29. R. Colle and D. Salvetti, Theor.Chim.Acta, 37, 329 (1975).

    Article  Google Scholar 

  30. A. Grassi et al. Mol.Phys. 1994 (in press).

    Google Scholar 

  31. J.F. Mucci and N.H. March, J.Chem.Phys. 71, 5270 (1979).

    Article  ADS  Google Scholar 

  32. P. Politzer, J.Chem.Phys. 64, 4239 (1976).

    Article  ADS  Google Scholar 

  33. K. Ruedenberg, J.Chem.Phys. 66, 375 (1977).

    Article  ADS  Google Scholar 

  34. N.H. March, J.Chem.Phys. 67, 4618 (1977).

    Article  ADS  Google Scholar 

  35. A. Nagy and N.H. March, Chem.Phys. 140, 339 (1990).

    Article  ADS  Google Scholar 

  36. N.H. March, J.Chem.Phys. 74, 2973 (1981).

    Article  ADS  Google Scholar 

  37. R.G. Parr, R.A. Donnelly, M. Levy and W.E. Palke, J.Chem.Phys. 68, 3801 (1978).

    Article  ADS  Google Scholar 

  38. R.F.W. Bader and N.H. March, Phys.Lett. 78A, 242 (1980).

    ADS  Google Scholar 

  39. K.D. Sen (Editor) Structure and Bonding, Vol.80, (Springer: Berlin, 1993).

    Google Scholar 

  40. E. Teller, Rev.Mod.Phys. 34, 627 (1962).

    Article  ADS  MATH  Google Scholar 

  41. J.F. Mucci and N.H. March, J.Chem.Phys. 78, 6178 (1983).

    Article  ADS  Google Scholar 

  42. N.L. Allan, CG. West, D.L. Cooper, P.J. Grout and N.H. March, J.Chem.Phys. 83, 4562 (1985).

    Article  ADS  Google Scholar 

  43. C Lee and S.K. Ghosh, Phys.Rev. A33, 3506 (19).

    Google Scholar 

  44. N.H. March, J.Phys. B24, 4123 (1991).

    MathSciNet  ADS  Google Scholar 

  45. R. Pucci and N.H. March, Phys.Rev. A35, 4428 (1987).

    ADS  Google Scholar 

  46. G. Laming, A. Nagy, N.C. Handy and N.H. March, Mol.Phys. (1994), in press.

    Google Scholar 

  47. N.A. Cordero, J.A. Alonso, J.M. Lopez and N.H. March. Mol.Phys. 79, 393 (1993).

    Article  Google Scholar 

  48. N.W. Ashcroft, Phys.Lett. 23, 48 (1966).

    Article  ADS  Google Scholar 

  49. D.A. Kirznits, Sov.Phys.JETP. 5, 64 (1957).

    Google Scholar 

  50. N.H. March and R. Santamaria, Int.J.Quantum Chem. 39, 585 (1990).

    Article  Google Scholar 

  51. A. Holas and N.H. March, Phys.Chem.Liquids. 25, 43 (1992).

    Article  Google Scholar 

  52. J. Bardeen, Phys.Rev. 49, 653 (1936).

    Article  ADS  MATH  Google Scholar 

  53. A.D. Becke, Phys.Rev. A38, 3098 (1988).

    ADS  Google Scholar 

  54. H. Lee, C. Lee and R.F. Parr, Phys.Rev. A44, 768 (1991).

    ADS  Google Scholar 

  55. N.H. March and W.H. Young, Nuclear Phys. 12, 237 (1959).

    Article  ADS  MATH  Google Scholar 

  56. G.P. Lewes and N.H. March, J.Chem.Phys. 71, 1007 (1979).

    Article  ADS  Google Scholar 

  57. K. Husimi, Proc.Phys.-Math.Soc.Japan. 22, 264 (1940).

    Google Scholar 

  58. N. H. March and A.M. Murray, Proc.Roy.Soc, A256, 400 (1960).

    MathSciNet  ADS  Google Scholar 

  59. M. Levy, J.P. Perdew and V. Sahni, Phys.Rev. A30, 2745 (1984).

    ADS  Google Scholar 

  60. G. Hunter in Density Matrices and Density Functionals, (Riedel: Dordrecht, 1987), p583.

    Google Scholar 

  61. E.N. Lasettre, J.Chem.Phys. 83, 1709 (1985).

    Article  ADS  Google Scholar 

  62. N.H. March, Phys. Lett. 113A, 66 and 476 (1986).

    ADS  Google Scholar 

  63. A. Holas and N.H. March in ‘Electrons in solids’: Editor P. Zietsche (Dresden U.P.).

    Google Scholar 

  64. A. Nagy, Phil.Mag, 1994, in press.

    Google Scholar 

  65. MJ. Stott, private commun, and to appear (1993).

    Google Scholar 

  66. K. Unger, private commun, and to appear (1993).

    Google Scholar 

  67. M.S. Vallarta and N. Rosen, Phys.Rev. 41, 708 (1932).

    Article  ADS  MATH  Google Scholar 

  68. S.H. Hill, P.J. Grout and N.H. March, J.Phys. B16, 2301 (1983).

    ADS  Google Scholar 

  69. S.H. Hill, P.J. Grout and N.H. March, J.Phys. B17, 4819 (1984).

    ADS  Google Scholar 

  70. G. Senatore and N.H. March, Phys.Rev. A30, 900 (1985).

    Google Scholar 

  71. A. Holas and N.H. March, J.Mol.Structure (Theochem)., 279, 273 (1993).

    Article  Google Scholar 

  72. A. Holas and N.H. March, J.Math.Phys. 1994, to appear.

    Google Scholar 

  73. N.H. March and R.G. Parr, Proc.Nat.Sci.USA. 79, 100 (1982).

    Google Scholar 

  74. G. Senatore and N.H. March, J.Chem.Phys. 83, 1232 (1985).

    Article  ADS  Google Scholar 

  75. N.H. March, J.Chem.Phys. 72, 1994 (1980).

    Article  ADS  Google Scholar 

  76. P.K. Mehrotra and R. Hoffmann, Theor.Chim.Acta. 48, 301 (1978).

    Article  Google Scholar 

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Author information

Authors and Affiliations

  1. Theoretical Chemistry Department, University of Oxford, 5 South Parks Road, Oxford, OX1 3UB, England

    N. H. March

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  1. N. H. March
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Editor information

Editors and Affiliations

  1. Institute for Theoretical Physics, Julius Maximilian University, Würzburg, Germany

    Eberhard K. U. Gross

  2. Institute for Theoretical Physics, Johann Wolfgang Goethe University, Frankfurt am Main, Germany

    Reiner M. Dreizler

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© 1995 Springer Science+Business Media New York

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March, N.H. (1995). Applications of Density Functional Theory in Chemistry. In: Gross, E.K.U., Dreizler, R.M. (eds) Density Functional Theory. NATO ASI Series, vol 337. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-9975-0_13

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  • DOI: https://doi.org/10.1007/978-1-4757-9975-0_13

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4757-9977-4

  • Online ISBN: 978-1-4757-9975-0

  • eBook Packages: Springer Book Archive

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