Adiabatic connection at negative coupling strengths

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 81, Issue 1, 2010, Pages

  Seidl, Michael ^a   Gori Giorgi, Paola ^b,c  

^a UNIVERSITY OF REGENSBURG   (Germany)

^b LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^c VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC CONNECTION; COUPLING STRENGTHS; ELECTRONIC SYSTEMS; ISO-ELECTRONIC SERIES; NEGATIVE VALUES; SECOND-ORDER CORRELATION ENERGIES; TWO-ELECTRON SYSTEMS; VIRTUAL ORBITALS;

PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY;

EID: 75849123765     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.81.012508     Document Type: Article

References (55)

1. R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
2. W. Kohn, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.71.1253 71, 1253 (1999).
3. A. E. Mattsson, Science SCIEAS 0036-8075 10.1126/science.1077710 298, 759 (2002).
4. J. P. Perdew, A. Ruzsinszky, J. Tao, V. N. Staroverov, G. E. Scuseria, and G. I. Csonka, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1904565 123, 062201 (2005).
5. A. J. Cohen, P. Mori-Sanchez, and W. T. Yang, Science SCIEAS 0036-8075 10.1126/science.1158722 321, 792 (2008).
6. J. Harris and R. Jones, J. Phys. F JPFMAT 0305-4608 10.1088/0305-4608/4/ 8/013 4, 1170 (1974).
7. O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B JPFMAT 1098-0121 10.1103/PhysRevB.13.4274 13, 4274 (1976).
8. D. C. Langreth and J. P. Perdew, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(75)90618-3 17, 1425 (1975).
9. M. Levy, Proc. Natl. Acad. Sci. USA PNASA6 0027-8424 10.1073/pnas.76.12. 6062 76, 6062 (1979).
10. A. Görling and M. Levy, Phys. Rev. B PNASA6 1098-0121 10.1103/PhysRevB.47.13105 47, 13105 (1993).
11. A. Görling and M. Levy, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.50.196 50, 196 (1994).
12. V. N. Staroverov, G. E. Scuseria, and E. R. Davidson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2194546 124, 141103 (2006).
13. A. Görling, A. Hesselmann, M. Jones, and M. Levy, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2826366 128, 104104 (2008).
14. D. Rohr, O. Gritsenko, and E. J. Baerends, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2006.10.021 432, 336 (2006).
15. A. Hesselmann, A. W. Götz, F. Della Sala, and A. Görling, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2751159 127, 054102 (2007).
16. A. F. Izmaylov, V. N. Staroverov, G. E. Scuseria, E. R. Davidson, G. Stoltz, and E. Cances, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2434784 126, 084107 (2007).
17. T. Heaton-Burgess and W. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2982799 129, 194102 (2008).
18. A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464304 98, 1372 (1993).
19. A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464913 98, 5648 (1993).
20. P. Mori-Sanchez, A. J. Cohen, and W. T. Yang, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2179072 124, 091102 (2006).
21. M. Ernzerhof, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(96) 01225-0 263, 499 (1996).
22. K. Burke, M. Ernzerhof, and J. P. Perdew, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(96)01373-5 265, 115 (1997).
23. M. Seidl, J. P. Perdew, and S. Kurth, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.62.012502 62, 012502 (2000);
24. M. Seidl, J. P. Perdew, and S. Kurth, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.72.029904 72, 029904 (E) (2005).
25. M. Seidl, J. P. Perdew, and M. Levy, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.59.51 59, 51 (1999).
26. M. Seidl, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.60.4387 60, 4387 (1999).
27. M. Seidl, P. Gori-Giorgi, and A. Savin, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.75.042511 75, 042511 (2007).
28. P. Gori-Giorgi, G. Vignale, and M. Seidl, J. Chem. Theory Comput. PLRAAN 1549-9618 10.1021/ct8005248 5, 743 (2009).
29. Z. F. Liu and K. Burke, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.79.064503 79, 064503 (2009).
30. M. Seidl, J. P. Perdew, and S. Kurth, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.84.5070 84, 5070 (2000).
31. T. Gimon, A. Görling, and M. Seidl (unpublished).
32. J. Jung, P. Garcia-Gonzalez, J. E. Alvarellos, and R. W. Godby, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.69.052501 69, 052501 (2004).
33. V. N. Staroverov, G. E. Scuseria, J. Tao, and J. P. Perdew, Phys. Rev. B PLRAAN 1098-0121 10.1103/PhysRevB.69.075102 69, 075102 (2004).
34. Z. F. Liu and K. Burke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3239472 131, 124124 (2009).
35. P. Gori-Giorgi, M. Seidl, and G. Vignale, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.166402 103, 166402 (2009).
36. M. Seidl, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.75.062506 75, 062506 (2007).
37. J. Sun, J. Chem. Theory Comput. PLRAAN 1549-9618 10.1021/ct800515w 5, 708 (2009).
38. M. Levy, in The Single-Particle Density in Physics and Chemistry, edited by, N. March, and, B. Deb, (Academic Press, London, 1987).
39. P.-F. Loos and P. M. W. Gill, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.79.062517 79, 062517 (2009).
40. P.-F. Loos and P. M. W. Gill, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.123008 103, 123008 (2009).
41. S. Ivanov and M. Levy, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp9731415 102, 3151 (1998).
42. M. Taut, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.48.3561 48, 3561 (1993).
43. R. Magyar, W. Terilla, and K. Burke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1579465 119, 696 (2003).
44. F. Colonna and A. Savin, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478234 110, 2828 (1999).
45. M. Pindl, Diploma thesis, University of Regensburg (2000).
46. M. Levy, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.26.1200 26, 1200 (1982).
47. E. H. Lieb, Int. J. Quantum. Chem. IJQCB2 0020-7608 10.1002/qua.560240302 24, 243 (1983).
48. J. T. Chayes, L. Chayes, and M. B. Ruskai, J. Stat. Phys. JSTPBS 0022-4715 10.1007/BF01010474 38, 497 (1985).
49. P. R. T. Schipper, O. V. Gritsenko, and E. J. Baerends, Theor. Chem. Acc. 99, 329 (1998).
50. P. R. T. Schipper, O. V. Gritsenko, and E. J. Baerends, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.479707 111, 4056 (1999).
51. C. A. Ullrich and W. Kohn, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.87.093001 87, 093001 (2001).
52. T. Tsuchimochi and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3237029 131, 121102 (2009).
53. V. A. Kostelecky, M. M. Nieto, and D. R. Truax, Phys. Rev. D PRVDAQ 1550-7998 10.1103/PhysRevD.32.2627 32, 2627 (1985).
54. M. Seidl (unpublished).
55. P.-F. Loos and P. M. W. Gill, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3275519 131, 241101 (2009).