Density Functional Theory: A Personal View

Springer Series in Solid-State Sciences

Volumn 171, Issue , 2012, Pages 1-28

  Jones, Robert O ^a,b  

^a FORSCHUNGSZENTRUM JÜLICH   (Germany)

^b RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

Correlate Wave Function; Density Functional Calculation; Density Functional Method; Local Density Approximation; Vibrational Circular Dichroism

Indexed keywords

EID: 84926466924     PISSN: 01711873     EISSN: 21974179     Source Type: Book Series    
DOI: 10.1007/978-3-642-21831-6_1     Document Type: Chapter

References (53)

1. P.A.M. Dirac, Proc. Camb. Phil. Soc. 26, 376 (1930)
2. F.H.C. Crick, What Mad Pursuit (Penguin, London, 1988), p. 150
3. R.O. Jones, O. Gunnarsson, Rev. Mod. Phys. 61, 689 (1989)
4. G. Segrè, Faust in Copenhagen: A Struggle for the Soul of Physics (Jonathan Cape, London, 2007)
5. D.R. Hartree, Proc. Camb. Phil Soc. 24, 89, 111 (1928)
6. J.C. Slater, Phys. Rev. 35, 210 (1930)
7. V. Fock, Z. Physik 61, 126 (1930)
8. J.C. Slater, Phys. Rev. 34, 1293 (1929)
9. F. Bloch, Z. Physik 57, 545 (1929)
10. P.A.M. Dirac, Proc. Roy. Soc. (London) A 123, 714 (1929)
11. L.H. Thomas, Proc. Camb. Phil Soc. 23, 542 (1927)
12. E. Fermi, Z. Physik 48, 73 (1928)
13. E.H. Lieb, Rev. Mod. Phys. 53, 601 (1981)
14. E.H. Lieb, Int. J. Quantum Chem. 24, 243 (1983)
15. L. Spruch, Rev. Mod. Phys. 63, 151 (1991)
16. E. Teller, Rev. Mod. Phys. 34, 627 (1962)
17. E.H. Lieb, B. Simon, Phys. Rev. Lett. 31, 681 (1973)
18. P. Ehrenfest, Z. Physik A 45, 455 (1927)
19. E. Wigner, F. Seitz, Phys. Rev. 43, 804 (1933); E. Wigner, F. Seitz, Phys. Rev. 46, 509 (1934)
20. J.C. Slater, Rev. Mod. Phys. 6, 209 (1934)
21. J.C. Slater, Phys. Rev. 81, 385 (1951)
22. J.C. Slater, Phys. Rev. 51, 846 (1937)
23. J. Korringa, Physica 13, 392 (1947)
24. W. Kohn, N. Rostoker, Phys. Rev. 94, 111 (1954)
25. J.C. Slater, Phys. rev. 165, 658 (1968)
26. R. Gáspár, Acta Phys. Hung. 3, 263 (1954)
27. J.C. Slater, in The World of Quantum Chemistry, ed. by R. Daudel, B. Pullman. (D. Reidel, Dordrecht, 1974), pp. 3–15
28. P. Hohenberg, W. Kohn, Phys. Rev. 136, B864 (1964)
29. M. Levy, Proc. Nat. Acad. Sci. (USA), 76, 6062 (1979)
30. W. Kohn, L. J. Sham, Phys. Rev. 140, A1133 (1965)
31. O. Gunnarsson, B.I. Lundqvist, Phys. Rev. B 13, 4274 (1976)
32. J. Tao, J.P. Perdew, V.N. Staroverov, G.E. Scuseria, Phys. Rev. Lett. 91, 146401 (2003)
33. O. Gunnarsson, R.O. Jones, Phys. Rev. B 31, 7588 (1985)
34. J. Harris, R.O. Jones, J. Phys. F 4, 1170 (1974)
35. V. Heine, ψk Newsletter, Ab Initio (from Electronic Structure) Calculations of Complex Processes in Materials, 50, 7 (2002). www.psi-k.org/newsletters/News 50/newsletter 50.pdf
36. A.D. Becke, Phys. Rev. A 38, 3098 (1988)
37. B.G. Johnson, P.M.W. Gill, J.A. Pople, J. Chem. Phys. 97, 8846 (1992)
38. H.F. Schaefer III, J. Phys. Chem. 100, 6003 (1996).
39. O. Gunnarsson, J. Harris, R.O. Jones, J. Chem. Phys. 67, 3970 (1977)
40. J.H. Bartlett Jr, W.H. Furry, Phys. Rev. 38, 1615 (1931)
41. C.F. Bender, E.R. Davidson, J. Chem. Phys. 47, 4792 (1967)
42. E. Dykstra, H.F. Schaefer III, W. Meyer, J. Chem. Phys. 65, 5141 (1976)
43. K.D. Jordan, J. Simons, J. Chem. Phys. 65, 1601 (1976)
44. K.D. Jordan, J. Simons, J. Chem. Phys. 67, 4027 (1977)
45. R.A. Whiteside, R. Krishnan, J.A. Pople, M.-B. Krogh-Jespersen, P. von R. Schleyer, G. Wenke, J. Comput. Chem. 1, 307 (1980)
46. R.O. Jones, J. Chem. Phys. 71,1300 (1979)
47. V.L. Moruzzi, J.F. Janak, A.R. Williams, Calculated Electronic Properties of Metals (Perga-mon, New York, 1978)
48. A.D. McLean, B. Liu, J. Chem. Phys. 72, 3418 (1980) [Received 10 December 1979, accepted 17 December 1979, published 1 March 1980]
49. B.H. Lengsfield III, A.D. McLean, M. Yoshimine, B. Liu, J. Chem. Phys. 79, 1891 (1983) [Received 16 March 1983, accepted 4 May 1983, published 15 August 1983]
50. G.S. Painter, F.W. Averill, Phys. Rev. B 26, 1781 (1982)
51. V.E. Bondybey, Chem. Phys. Lett. 109, 436 (1984) [Received 9 July 1984, published 31 August 1984]
52. G.A. Petersson, W.A. Shirley, Chem. Phys. Lett. 160, 494 (1989)
53. C.W. Murray, N.C. Handy, R.D. Amos, J. Chem. Phys. 98, 7145 (1993)