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Journal of Chemical Physics

Volumn 126, Issue 21, 2007, Pages

Localized exchange-correlation potential from second-order self-energy for accurate Kohn-Sham energy gap

(2) Fabiano, E a Della Sala, F a

a NATIONAL NANOTECHNOLOGY LABORATORY (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; ENERGY GAP; MATRIX ALGEBRA; SCHRODINGER EQUATION;

EXCITATION ENERGIES; KOHN-SHAM (KS) EXCHANGE-CORRELATION POTENTIAL; SELF-ENERGY MATRIX ELEMENTS;

QUANTUM CHEMISTRY;

EID: 34250024906 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2735300 Document Type: Article

Times cited : (35)

References (137)

1
- 10644250257
- P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
- (1964) Phys. Rev. , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

2
- 0042113153
- W. Kohn and L. J. Sham, Phys. Rev. A 140, A1133 (1965).
- (1965) Phys. Rev. A , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

3
- 0003569570
- Oxford University Press, Oxford
- R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, Oxford, 1989).
- (1989) Density-Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

4
- 0003398526
- Springer, Heidelberg
- R. M. Dreizler and E. K. U. Gross, Density Functional Theory (Springer, Heidelberg, 1990).
- (1990) Density Functional Theory
- Dreizler, R.M.¹ Gross, E.K.U.²

5
- 0012597289
- E. Runge and E. K. U. Gross, Phys. Rev. Lett. 52, 997 (1984).
- (1984) Phys. Rev. Lett. , vol.52 , pp. 997
- Runge, E.¹ Gross, E.K.U.²

6
- 0003759441
- edited by D. P.Chong (World Scientific, Singapore
- M. E. Casida, in Recent Advances in Density Functional Methods, Band I, edited by, D. P. Chong, (World Scientific, Singapore, 1995).
- (1995) Recent Advances in Density Functional Methods
- Casida, M.E.¹

7
- 10844284893
- S. J. A. van Gisbergen, J. G. Snijders, and E. J. Baerends, J. Chem. Phys. 103, 9347 (1995).
- (1995) J. Chem. Phys. , vol.103 , pp. 9347
- Van Gisbergen, S.J.A.¹ Snijders, J.G.² Baerends, E.J.³

8
- 0011143186
- C. Jamorski, M. E. Casida, and D. R. Salahub, J. Chem. Phys. 104, 5134 (1996).
- (1996) J. Chem. Phys. , vol.104 , pp. 5134
- Jamorski, C.¹ Casida, M.E.² Salahub, D.R.³

9
- 0012459223
- M. Petersilka, U. J. Grossmann, and E. K. U. Gross, Phys. Rev. Lett. 76, 1212 (1996).
- (1996) Phys. Rev. Lett. , vol.76 , pp. 1212
- Petersilka, M.¹ Grossmann, U.J.² Gross, E.K.U.³

10
- 0003849463
- edited by J. M.Seminario (Elsevier, Amsterdam
- M. E. Casida, in Recent Developments and Application of Modern Density Functional Theory, edited by, J. M. Seminario, (Elsevier, Amsterdam, 1996).
- (1996) Recent Developments and Application of Modern Density Functional Theory
- Casida, M.E.¹

11
- 0030570285
- R. Bauernschmitt and R. Ahlrichs, Chem. Phys. Lett. 256, 454 (1996).
- (1996) Chem. Phys. Lett. , vol.256 , pp. 454
- Bauernschmitt, R.¹ Ahlrichs, R.²

12
- 0037889247
- A. Görling, H. H. Heinze, S. P. Ruzankin, M. Staufer, and N. Rösch, J. Chem. Phys. 110, 2785 (1999).
- (1999) J. Chem. Phys. , vol.110 , pp. 2785
- Görling, A.¹ Heinze, H.H.² Ruzankin, S.P.³ Staufer, M.⁴ Rösch, N.⁵

13
- 17944397701
- I. Vasiliev, S. Ögüt, and J. R. Chelikowsky, Phys. Rev. Lett. 82, 1919 (1999).
- (1999) Phys. Rev. Lett. , vol.82 , pp. 1919
- Vasiliev, I.¹ Ögüt, S.² Chelikowsky, J.R.³

14
- 0002805577
- K. Yabana and G. F. Bertsch, Int. J. Quantum Chem. 75, 55 (1999).
- (1999) Int. J. Quantum Chem. , vol.75 , pp. 55
- Yabana, K.¹ Bertsch, G.F.²

15
- 0036057017
- G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. 74, 601 (2002).
- (2002) Rev. Mod. Phys. , vol.74 , pp. 601
- Onida, G.¹ Reining, L.² Rubio, A.³

16
- 0037159393
- 0021-9606 10.1063/1.1508368
- F. Furche and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1508368 117, 7433 (2002); F. Furche and R. Ahlrichs, J. Chem. Phys. 121, 12772 (E) (2004).
- (2002) J. Chem. Phys. , vol.117 , pp. 7433
- Furche, F.¹ Ahlrichs, R.²

17
- 18144369730
- F. Furche and R. Ahlrichs, J. Chem. Phys. 0021-9606 10.1063/1.1508368 117, 7433 (2002); F. Furche and R. Ahlrichs, J. Chem. Phys. 121, 12772 (E) (2004).
- (2004) J. Chem. Phys. , vol.121 , pp. 12772
- Furche, F.¹ Ahlrichs, R.²

18
- 3342927029
- M. A. L. Marques and E. K. U. Gross, Annu. Rev. Phys. Chem. 55, 427 (2004).
- (2004) Annu. Rev. Phys. Chem. , vol.55 , pp. 427
- Marques, M.A.L.¹ Gross, E.K.U.²

19
- 33745778149
- edited by M. A. L.Marques, C. A.Ullrich, F.Nogueira, A.Rubio, K.Burke, and E. K. U.Gross (Springer, New York
- Time-Dependent Density Functional Theory, edited by, M. A. L. Marques, C. A. Ullrich, F. Nogueira, A. Rubio, K. Burke, and, E. K. U. Gross, (Springer, New York, 2006).
- (2006) Time-Dependent Density Functional Theory

20
- 3042774866
- A. Görling, Phys. Rev. A 54, 3912 (1996).
- (1996) Phys. Rev. A , vol.54 , pp. 3912
- Görling, A.¹

21
- 0001403854
- C. Filippi, C. J. Umrigar, and X. Gonze, J. Chem. Phys. 107, 9994 (1997).
- (1997) J. Chem. Phys. , vol.107 , pp. 9994
- Filippi, C.¹ Umrigar, C.J.² Gonze, X.³

22
- 0032557335
- A. Savin, C. J. Umrigar, and X. Gonze, Chem. Phys. Lett. 288, 391 (1998).
- (1998) Chem. Phys. Lett. , vol.288 , pp. 391
- Savin, A.¹ Umrigar, C.J.² Gonze, X.³

23
- 0037138917
- M. J. Allen and D. J. Tozer, Mol. Phys. 100, 433 (2002).
- (2002) Mol. Phys. , vol.100 , pp. 433
- Allen, M.J.¹ Tozer, D.J.²

24
- 0347480453
- A. M. Teale and D. J. Tozer, Chem. Phys. Lett. 383, 109 (2004).
- (2004) Chem. Phys. Lett. , vol.383 , pp. 109
- Teale, A.M.¹ Tozer, D.J.²

25
- 0001132752
- J. P. Perdew, R. G. Parr, and J. L. Balduz, Phys. Rev. Lett. 49, 1691 (1982).
- (1982) Phys. Rev. Lett. , vol.49 , pp. 1691
- Perdew, J.P.¹ Parr, R.G.² Balduz, J.L.³

26
- 3343011193
- J. P. Perdew and M. L. Levy, Phys. Rev. Lett. 51, 1884 (1983).
- (1983) Phys. Rev. Lett. , vol.51 , pp. 1884
- Perdew, J.P.¹ Levy, M.L.²

27
- 4243209020
- L. J. Sham and M. Schlüter, Phys. Rev. Lett. 51, 1888 (1983).
- (1983) Phys. Rev. Lett. , vol.51 , pp. 1888
- Sham, L.J.¹ Schlüter, M.²

28
- 33744712364
- L. J. Sham and M. Schlüter, Phys. Rev. B 32, 3883 (1985).
- (1985) Phys. Rev. B , vol.32 , pp. 3883
- Sham, L.J.¹ Schlüter, M.²

29
- 0031571921
- M. Städele, J. A. Majewski, P. Vogl, and A. Görling, Phys. Rev. Lett. 79, 2089 (1997).
- (1997) Phys. Rev. Lett. , vol.79 , pp. 2089
- Städele, M.¹ Majewski, J.A.² Vogl, P.³ Görling, A.⁴

30
- 0141948495
- M. Städele, M. Moukara, J. A. Majewski, P. Vogl, and A. Görling, Phys. Rev. B 59, 10031 (1999).
- (1999) Phys. Rev. B , vol.59 , pp. 10031
- Städele, M.¹ Moukara, M.² Majewski, J.A.³ Vogl, P.⁴ Görling, A.⁵

31
- 1542314220
- R. J. Magyar, A. Fleszar, and E. K. U. Gross, Phys. Rev. A 69, 045111 (2004).
- (2004) Phys. Rev. A , vol.69 , pp. 045111
- Magyar, R.J.¹ Fleszar, A.² Gross, E.K.U.³

32
- 34547237417
- M. Grüning, A. Marini, and A. Rubio, J. Chem. Phys. 124, 154108 (2006).
- (2006) J. Chem. Phys. , vol.124 , pp. 154108
- Grüning, M.¹ Marini, A.² Rubio, A.³

33
- 4243841807
- J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A 46, 5453 (1992).
- (1992) Phys. Rev. A , vol.46 , pp. 5453
- Krieger, J.B.¹ Li, Y.² Iafrate, G.J.³

34
- 0000442705
- A. Görling, Phys. Rev. Lett. 83, 5459 (1999).
- (1999) Phys. Rev. Lett. , vol.83 , pp. 5459
- Görling, A.¹

35
- 34247630122
- S. Ivanov, S. Hirata, and R. J. Bartlett, Phys. Rev. Lett. 83, 8455 (1999).
- (1999) Phys. Rev. Lett. , vol.83 , pp. 8455
- Ivanov, S.¹ Hirata, S.² Bartlett, R.J.³

36
- 0035475598
- F. Della Sala and A. Görling, J. Chem. Phys. 115, 5718 (2001).
- (2001) J. Chem. Phys. , vol.115 , pp. 5718
- Della Sala, F.¹ Görling, A.²

37
- 0035471683
- O. V. Gritsenko and E. J. Baerends, Phys. Rev. A 64, 042506 (2001).
- (2001) Phys. Rev. A , vol.64 , pp. 042506
- Gritsenko, O.V.¹ Baerends, E.J.²

38
- 34250006479
- M. Grüning, O. V. Gritsenko, and E. J. Baerends, J. Chem. Phys. 116, 6453 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 6453
- Grüning, M.¹ Gritsenko, O.V.² Baerends, E.J.³

39
- 0035932846
- L. Veseth, J. Chem. Phys. 114, 8789 (2001).
- (2001) J. Chem. Phys. , vol.114 , pp. 8789
- Veseth, L.¹

40
- 0035335864
- S. Hamel, M. E. Casida, and D. R. Salahub, J. Chem. Phys. 114, 7342 (2001).
- (2001) J. Chem. Phys. , vol.114 , pp. 7342
- Hamel, S.¹ Casida, M.E.² Salahub, D.R.³

41
- 0037201576
- W. Yang and Q. Wu, Phys. Rev. Lett. 89, 143002 (2002).
- (2002) Phys. Rev. Lett. , vol.89 , pp. 143002
- Yang, W.¹ Wu, Q.²

42
- 0036536206
- F. Della Sala and A. Görling, J. Chem. Phys. 116, 5374 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 5374
- Della Sala, F.¹ Görling, A.²

43
- 0037473872
- S. Kümmel and J. P. Perdew, Phys. Rev. Lett. 90, 043004 (2003).
- (2003) Phys. Rev. Lett. , vol.90 , pp. 043004
- Kümmel, S.¹ Perdew, J.P.²

44
- 0345602036
- S. Kummel and J. P. Perdew, Phys. Rev. B 68, 35103 (2003).
- (2003) Phys. Rev. B , vol.68 , pp. 35103
- Kummel, S.¹ Perdew, J.P.²

45
- 34547139341
- V. N. Staroverov, G. E. Scuseria, and E. Davidson, J. Chem. Phys. 124, 141103 (2006).
- (2006) J. Chem. Phys. , vol.124 , pp. 141103
- Staroverov, V.N.¹ Scuseria, G.E.² Davidson, E.³

46
- 33748259234
- V. N. Starovev, G. E. Scuseria, and E. R. Davidson, J. Chem. Phys. 125, 081104 (2006).
- (2006) J. Chem. Phys. , vol.125 , pp. 081104
- Starovev, V.N.¹ Scuseria, G.E.² Davidson, E.R.³

47
- 6144260420
- C. J. Umrigar and X. Gonze, Phys. Rev. A 50, 3827 (1994).
- (1994) Phys. Rev. A , vol.50 , pp. 3827
- Umrigar, C.J.¹ Gonze, X.²

48
- 0001754877
- C. O. Almbladh and A. C. Pedroza, Phys. Rev. A 29, 2322 (1984).
- (1984) Phys. Rev. A , vol.29 , pp. 2322
- Almbladh, C.O.¹ Pedroza, A.C.²

49
- 0000395933
- A. Görling, Phys. Rev. A 46, 3753 (1992).
- (1992) Phys. Rev. A , vol.46 , pp. 3753
- Görling, A.¹

50
- 0000835004
- Y. Wang and R. G. Parr, Phys. Rev. A 47, R1591 (1993).
- (1993) Phys. Rev. A , vol.47 , pp. 1591
- Wang, Y.¹ Parr, R.G.²

51
- 4243669339
- R. van Leeuwen and E. J. Baerends, Phys. Rev. A 49, 2421 (1994).
- (1994) Phys. Rev. A , vol.49 , pp. 2421
- Van Leeuwen, R.¹ Baerends, E.J.²

52
- 0000630930
- Q. Zhao, R. C. Morrison, and R. G. Parr, Phys. Rev. A 50, 2138 (1994).
- (1994) Phys. Rev. A , vol.50 , pp. 2138
- Zhao, Q.¹ Morrison, R.C.² Parr, R.G.³

53
- 0001506902
- O. V. Gritsenko, R. van Leeuwen, and E. J. Baerends, Phys. Rev. A 52, 1870 (1995).
- (1995) Phys. Rev. A , vol.52 , pp. 1870
- Gritsenko, O.V.¹ Van Leeuwen, R.² Baerends, E.J.³

54
- 0001309745
- O. V. Gritsenko, R. van Leeuwen, and E. J. Baerends, Phys. Rev. A 104, 8535 (1996).
- (1996) Phys. Rev. A , vol.104 , pp. 8535
- Gritsenko, O.V.¹ Van Leeuwen, R.² Baerends, E.J.³

55
- 0031519105
- P. R. T. Schipper, O. V. Gritsenko, and E. J. Baerends, Theor. Chem. Acc. 98, 16 (1997).
- (1997) Theor. Chem. Acc. , vol.98 , pp. 16
- Schipper, P.R.T.¹ Gritsenko, O.V.² Baerends, E.J.³

56
- 0037425937
- Q. Wu and W. Yang, J. Chem. Phys. 118, 2498 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 2498
- Wu, Q.¹ Yang, W.²

57
- 0037241165
- K. Peirs, D. Van Neck, and M. Waroquier, Phys. Rev. A 67, 012505 (2003).
- (2003) Phys. Rev. A , vol.67 , pp. 012505
- Peirs, K.¹ Van Neck, D.² Waroquier, M.³

58
- 33645471542
- R. Astala and M. J. Stott, Phys. Rev. B 73, 115127 (2006).
- (2006) Phys. Rev. B , vol.73 , pp. 115127
- Astala, R.¹ Stott, M.J.²

59
- 35949004857
- A. Görling and M. Levy, Phys. Rev. B 47, 13105 (1993).
- (1993) Phys. Rev. B , vol.47 , pp. 13105
- Görling, A.¹ Levy, M.²

60
- 26544475305
- A. Görling and M. Levy, Phys. Rev. A 50, 196 (1994).
- (1994) Phys. Rev. A , vol.50 , pp. 196
- Görling, A.¹ Levy, M.²

61
- 0000695754
- E. Engel, A. Facco Bonetti, S. Keller, I. Andrejkovics, and R. M. Dreizler, Phys. Rev. A 58, 964 (1998).
- (1998) Phys. Rev. A , vol.58 , pp. 964
- Engel, E.¹ Facco Bonetti, A.² Keller, S.³ Andrejkovics, I.⁴ Dreizler, R.M.⁵

62
- 0035848291
- A. Facco Bonetti, E. Engel, R. N. Schmid, and R. M. Dreizler, Phys. Rev. Lett. 86, 2241 (2001).
- (2001) Phys. Rev. Lett. , vol.86 , pp. 2241
- Facco Bonetti, A.¹ Engel, E.² Schmid, R.N.³ Dreizler, R.M.⁴

63
- 0038721480
- Y. M. Niquet, M. Fuchs, and X. Gonze, Phys. Rev. Lett. 90, 219301 (2003).
- (2003) Phys. Rev. Lett. , vol.90 , pp. 219301
- Niquet, Y.M.¹ Fuchs, M.² Gonze, X.³

64
- 24144439082
- A. Facco Bonetti, E. Engel, R. N. Schmid, and R. M. Dreizler, Phys. Rev. Lett. 90, 219302 (2003).
- (2003) Phys. Rev. Lett. , vol.90 , pp. 219302
- Facco Bonetti, A.¹ Engel, E.² Schmid, R.N.³ Dreizler, R.M.⁴

65
- 28844432463
- E. Engel, H. Jiang, and F. Bonetti, Phys. Rev. A 72, 052503 (2005).
- (2005) Phys. Rev. A , vol.72 , pp. 052503
- Engel, E.¹ Jiang, H.² Bonetti, F.³

66
- 33748686003
- H. Jiang, and E. Engel, J. Chem. Phys. 123, 224101 (2005).
- (2005) J. Chem. Phys. , vol.123 , pp. 224101
- Jiang, H.¹ Engel, E.²

67
- 0037085811
- I. Grabowski, S. Hirata, S. Ivanov, and R. J. Bartlett, J. Chem. Phys. 116, 4415 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 4415
- Grabowski, I.¹ Hirata, S.² Ivanov, S.³ Bartlett, R.J.⁴

68
- 22944464792
- R. J. Bartlett, I. Grabowski, S. Hirata, and S. Ivanov, J. Chem. Phys. 122, 034104 (2005).
- (2005) J. Chem. Phys. , vol.122 , pp. 034104
- Bartlett, R.J.¹ Grabowski, I.² Hirata, S.³ Ivanov, S.⁴

69
- 24144453611
- R. J. Bartlett, V. F. Lotrich, and I. Schweigert, J. Chem. Phys. 123, 062205 (2005).
- (2005) J. Chem. Phys. , vol.123 , pp. 062205
- Bartlett, R.J.¹ Lotrich, V.F.² Schweigert, I.³

70
- 33748684437
- I. V. Schweigert, V. F. Lotrich, and R. J. Bartlett, J. Chem. Phys. 125, 104108 (2006).
- (2006) J. Chem. Phys. , vol.125 , pp. 104108
- Schweigert, I.V.¹ Lotrich, V.F.² Bartlett, R.J.³

71
- 36149005506
- R. T. Sharp and G. K. Horton, Phys. Rev. 90, 317 (1953).
- (1953) Phys. Rev. , vol.90 , pp. 317
- Sharp, R.T.¹ Horton, G.K.²

72
- 0001847092
- J. D. Talman and W. F. Shadwick, Phys. Rev. A 14, 36 (1979).
- (1979) Phys. Rev. A , vol.14 , pp. 36
- Talman, J.D.¹ Shadwick, W.F.²

73
- 22544454459
- A. Heßelmann, J. Chem. Phys. 122, 244108 (2005).
- (2005) J. Chem. Phys. , vol.122 , pp. 244108
- Heßelmann, A.¹

74
- 33645456250
- A. Heßelmann, Phys. Chem. Chem. Phys. 8, 563 (2006).
- (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 563
- Heßelmann, A.¹

75
- 0001180749
- M. E. Casida, J. Chem. Phys. 51, 2005 (1995).
- (1995) J. Chem. Phys. , vol.51 , pp. 2005
- Casida, M.E.¹

76
- 0000355828
- L. J. Sham, Phys. Rev. B 32, 3876 (1985).
- (1985) Phys. Rev. B , vol.32 , pp. 3876
- Sham, L.J.¹

77
- 34249996660
- E-JCPSA6-126-305719 for supplementary tables, figures, and appendix. This document can be reached through a direct link in the online article's HTML, reference section or via EPAPS homepage
- See EPAPS Document No. E-JCPSA6-126-305719 for supplementary tables, figures, and appendix. This document can be reached through a direct link in the online article's HTML, reference section or via EPAPS homepage (http://www.aip.org/pubserv/epaps.html).

78
- 33644525957
- P. H. Hahn, W. G. Schmidt, and F. Bechstedt, Phys. Rev. B 72, 245425 (2005).
- (2005) Phys. Rev. B , vol.72 , pp. 245425
- Hahn, P.H.¹ Schmidt, W.G.² Bechstedt, F.³

79
- 0001754040
- L. Hedin, Phys. Rev. 139, A769 (1965).
- (1965) Phys. Rev. , vol.139 , pp. 769
- Hedin, L.¹

80
- 22144469121
- L. Hedin and S. Lundqvist, Solid State Phys. 23, 1 (1969).
- (1969) Solid State Phys. , vol.23 , pp. 1
- Hedin, L.¹ Lundqvist, S.²

81
- 0037665262
- Y. M. Niquet, M. Fuchs, and X. Gonze, J. Chem. Phys. 118, 9504 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 9504
- Niquet, Y.M.¹ Fuchs, M.² Gonze, X.³

82
- 0035471683
- O. V. Gritsenko and E. J. Baerends, Phys. Rev. A 64, 042506 (2001).
- (2001) Phys. Rev. A , vol.64 , pp. 042506
- Gritsenko, O.V.¹ Baerends, E.J.²

83
- 0004206183
- Teubner, Heidelberg
- H. R. Schwarz, Numerische Mathematik (Teubner, Heidelberg, 2000).
- (2000) Numerische Mathematik
- Schwarz, H.R.¹

84
- 24144447382
- P. Mori-Sanchez, Q. Wu, and W. Yang, J. Chem. Phys. 123, 062204 (2005).
- (2005) J. Chem. Phys. , vol.123 , pp. 062204
- Mori-Sanchez, P.¹ Wu, Q.² Yang, W.³

85
- 33750986469
- H. Jiang and E. Engel, J. Chem. Phys. 125, 184108 (2006).
- (2006) J. Chem. Phys. , vol.125 , pp. 184108
- Jiang, H.¹ Engel, E.²

86
- 27844513491
- I. Grabowski and V. Lotrich, Mol. Phys. 103, 2085 (2005).
- (2005) Mol. Phys. , vol.103 , pp. 2085
- Grabowski, I.¹ Lotrich, V.²

87
- 0003468774
- McGraw-Hill, New York
- A. Szabo and N. S. Ostlund, Modern Quantum Chemistry (McGraw-Hill, New York, 1989).
- (1989) Modern Quantum Chemistry
- Szabo, A.¹ Ostlund, N.S.²

88
- 0000094680
- L. S. Cederbaum, Theor. Chim. Acta 31, 239 (1973).
- (1973) Theor. Chim. Acta , vol.31 , pp. 239
- Cederbaum, L.S.¹

89
- 0344469459
- L. S. Cederbaum, J. Phys. B 8, 290 (1975).
- (1975) J. Phys. B , vol.8 , pp. 290
- Cederbaum, L.S.¹

90
- 0040257300
- M. E. Casida and D. P. Chong, Phys. Rev. A 91, 5773 (1991).
- (1991) Phys. Rev. A , vol.91 , pp. 5773
- Casida, M.E.¹ Chong, D.P.²

91
- 0000721099
- A. G. Eguiluz, M. Heinrichsmeier, A. Fleszar, and W. Hanke, Phys. Rev. Lett. 68, 1359 (1992).
- (1992) Phys. Rev. Lett. , vol.68 , pp. 1359
- Eguiluz, A.G.¹ Heinrichsmeier, M.² Fleszar, A.³ Hanke, W.⁴

92
- 35949017831
- R. W. Godby, M. Schlüter, and L. J. Sham, Phys. Rev. Lett. 56, 2415 (1988).
- (1988) Phys. Rev. Lett. , vol.56 , pp. 2415
- Godby, R.W.¹ Schlüter, M.² Sham, L.J.³

93
- 33748908357
- R. W. Godby, M. Schlüter, and L. J. Sham, Phys. Rev. B 37, 10159 (1988).
- (1988) Phys. Rev. B , vol.37 , pp. 10159
- Godby, R.W.¹ Schlüter, M.² Sham, L.J.³

94
- 14944376213
- Y. M. Niquet and X. Gonze, Phys. Rev. B 70, 245115 (2004).
- (2004) Phys. Rev. B , vol.70 , pp. 245115
- Niquet, Y.M.¹ Gonze, X.²

95
- 33646734839
- M. L. Tiago and J. Chelikowski, Phys. Rev. B 73, 205334 (2006).
- (2006) Phys. Rev. B , vol.73 , pp. 205334
- Tiago, M.L.¹ Chelikowski, J.²

96
- 0006742931
- M. E. Casida and D. P. Chong, Phys. Rev. A 40, 4837 (1989).
- (1989) Phys. Rev. A , vol.40 , pp. 4837
- Casida, M.E.¹ Chong, D.P.²

97
- 0034301458
- C. Hättig and F. Weigend, J. Chem. Phys. 113, 5154 (2000).
- (2000) J. Chem. Phys. , vol.113 , pp. 5154
- Hättig, C.¹ Weigend, F.²

98
- 0037528946
- F. Della Sala and A. Görling, J. Chem. Phys. 118, 10439 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 10439
- Della Sala, F.¹ Görling, A.²

99
- 0001574067
- E. Fermi and E. Amaldi, Mem. R. Accad. Italia 6, 117 (1934).
- (1934) Mem. R. Accad. Italia , vol.6 , pp. 117
- Fermi, E.¹ Amaldi, E.²

100
- 0037100866
- F. Della Sala and A. Görling, Phys. Rev. Lett. 89, 033003 (2002).
- (2002) Phys. Rev. Lett. , vol.89 , pp. 033003
- Della Sala, F.¹ Görling, A.²

101
- 0002664446
- N. C. Handy, M. T. Marron, and H. J. Silverstone, Phys. Rev. 180, 45 (1969).
- (1969) Phys. Rev. , vol.180 , pp. 45
- Handy, N.C.¹ Marron, M.T.² Silverstone, H.J.³

102
- 34250016025
- University of Karlsruhe, Germany
- R. Ahlrichs, M. Bär, H.-P. Baron et al., TURBOMOLE, University of Karlsruhe, Germany, 1988.
- (1988)
- Ahlrichs, R.¹ Bär, M.² Baron, H.-P.³

103
- 33846410438
- J. C. Slater, Phys. Rev. 81, 385 (1951).
- (1951) Phys. Rev. , vol.81 , pp. 385
- Slater, J.C.¹

104
- 0038813858
- C. Hättig, J. Chem. Phys. 118, 7751 (2003).
- (2003) J. Chem. Phys. , vol.118 , pp. 7751
- Hättig, C.¹

105
- 0036091678
- C. Hättig and K. Hald, Phys. Chem. Chem. Phys. 4, 2111 (2002).
- (2002) Phys. Chem. Chem. Phys. , vol.4 , pp. 2111
- Hättig, C.¹ Hald, K.²

106
- 0037109578
- C. Hättig and A. Köhn, J. Chem. Phys. 117, 6939 (2002).
- (2002) J. Chem. Phys. , vol.117 , pp. 6939
- Hättig, C.¹ Köhn, A.²

107
- 34250024257
- Gaussian, Inc., Pittsburgh, PA
- M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 03, Revision C.02, Gaussian, Inc., Pittsburgh, PA, 2003.
- (2003)
- Frisch, M.J.¹ Trucks, G.W.² Schlegel, H.B.³

108
- 2942542478
- D. J. DeFrees, B. A. Levi, S. K. Pollak, W. J. Hehre, J. S. Binkley, and J. A. Pople, J. Am. Chem. Soc. 101, 4085 (1979)..
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 4085
- Defrees, D.J.¹ Levi, B.A.² Pollak, S.K.³ Hehre, W.J.⁴ Binkley, J.S.⁵ Pople, J.A.⁶

109
- 0000189651
- A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

110
- 0039209924
- A. Schäfer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 100, 5829 (1994).
- (1994) J. Chem. Phys. , vol.100 , pp. 5829
- Schäfer, A.¹ Huber, C.² Ahlrichs, R.³

111
- 0001629861
- P. A. M. Dirac, Proc. R. Soc. London, Ser. A 123, 714 (1929).
- (1929) Proc. R. Soc. London, Ser. A , vol.123 , pp. 714
- Dirac, P.A.M.¹

112
- 0000216001
- S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

113
- 4243553426
- A. D. Becke, Phys. Rev. A 38, 3098 (1988).
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

114
- 5944261746
- 0163-1829 10.1103/PhysRevB.33.8822
- J. P. Perdew, Phys. Rev. B 0163-1829 10.1103/PhysRevB.33.8822 33, 8822 (1986); J. P. Perdew, Phys. Rev. B 34, 7406 (E) (1986).
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

115
- 4043083704
- J. P. Perdew, Phys. Rev. B 0163-1829 10.1103/PhysRevB.33.8822 33, 8822 (1986); J. P. Perdew, Phys. Rev. B 34, 7406 (E) (1986).
- (1986) Phys. Rev. B , vol.34 , pp. 7406
- Perdew, J.P.¹

116
- 0345491105
- C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

117
- 0037438953
- F. Della Sala and A. Görling, Int. J. Quantum Chem. 91, 131 (2003).
- (2003) Int. J. Quantum Chem. , vol.91 , pp. 131
- Della Sala, F.¹ Görling, A.²

118
- 0034323791
- M. Petersilka, E. K. U. Gross, and K. Burke, Int. J. Quantum Chem. 80, 534 (2000).
- (2000) Int. J. Quantum Chem. , vol.80 , pp. 534
- Petersilka, M.¹ Gross, E.K.U.² Burke, K.³

119
- 33144465519
- D. Bokhan and R. J. Bartlett, Phys. Rev. A 73, 022502 (2006).
- (2006) Phys. Rev. A , vol.73 , pp. 022502
- Bokhan, D.¹ Bartlett, R.J.²

120
- 0001630147
- C. Filippi, C. J. Umigar, and X. Gonze, Phys. Rev. A 54, 4810 (1996).
- (1996) Phys. Rev. A , vol.54 , pp. 4810
- Filippi, C.¹ Umigar, C.J.² Gonze, X.³

121
- 0037162234
- P. J. Wilson and D. J. Tozer, J. Chem. Phys. 116, 10139 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 10139
- Wilson, P.J.¹ Tozer, D.J.²

122
- 0035880792
- M. A. Marques, A. Castro, and A. Rubio, J. Chem. Phys. 115, 3006 (2001).
- (2001) J. Chem. Phys. , vol.115 , pp. 3006
- Marques, M.A.¹ Castro, A.² Rubio, A.³

123
- 0000287603
- M. E. Casida, C. Jamorski, K. C. Casida, and D. R. Salahub, J. Chem. Phys. 108, 4439 (1998).
- (1998) J. Chem. Phys. , vol.108 , pp. 4439
- Casida, M.E.¹ Jamorski, C.² Casida, K.C.³ Salahub, D.R.⁴

124
- 2542450086
- Y. Tawada, T. Tsuneda, S. Yanagisawa, T. Yanai, and K. Hirao, J. Chem. Phys. 120, 8425 (2004).
- (2004) J. Chem. Phys. , vol.120 , pp. 8425
- Tawada, Y.¹ Tsuneda, T.² Yanagisawa, S.³ Yanai, T.⁴ Hirao, K.⁵

125
- 0001179045
- R. J. Buenker and S. D. Peyerimhoff, Chem. Phys. Lett. 29, 253 (1974).
- (1974) Chem. Phys. Lett. , vol.29 , pp. 253
- Buenker, R.J.¹ Peyerimhoff, S.D.²

126
- 36549096423
- V. Vaida, M. I. McCarthy, P. C. Engelking, P. Rosmus, H.-J. Werner, and P. Botschwina, J. Chem. Phys. 86, 6669 (1987).
- (1987) J. Chem. Phys. , vol.86 , pp. 6669
- Vaida, V.¹ McCarthy, M.I.² Engelking, P.C.³ Rosmus, P.⁴ Werner, H.-J.⁵ Botschwina, P.⁶

127
- 36749119980
- L. C. Lee and C. C. Chiang, J. Chem. Phys. 78, 688 (1983).
- (1983) J. Chem. Phys. , vol.78 , pp. 688
- Lee, L.C.¹ Chiang, C.C.²

128
- 0001483657
- R. Dressler and M. Allan, J. Chem. Phys. 87, 4510 (1987).
- (1987) J. Chem. Phys. , vol.87 , pp. 4510
- Dressler, R.¹ Allan, M.²

129
- 2642540282
- A. J. Merer and R. S. Mulliken, Chem. Rev. (Washington, D.C.) 69, 639 (1969).
- (1969) Chem. Rev. (Washington, D.C.) , vol.69 , pp. 639
- Merer, A.J.¹ Mulliken, R.S.²

130
- 0041585557
- C. R. C. Wang, S. Pollack, D. Cameron, and M. M. Kappes, J. Chem. Phys. 93, 3787 (1990).
- (1990) J. Chem. Phys. , vol.93 , pp. 3787
- Wang, C.R.C.¹ Pollack, S.² Cameron, D.³ Kappes, M.M.⁴

131
- 0000357189
- M. J. Packer, E. K. Dalskov, T. Enevoldsen, H. Jørgen Aa. Jensen, and J. Oddershede, J. Chem. Phys. 105, 5886 (1996).
- (1996) J. Chem. Phys. , vol.105 , pp. 5886
- Packer, M.J.¹ Dalskov, E.K.² Enevoldsen, T.³ Jørgen Aa. Jensen, H.⁴ Oddershede, J.⁵

132
- 0040963619
- D. Biermann and W. Schmidt, J. Am. Chem. Soc. 102, 3163 (2003).
- (2003) J. Am. Chem. Soc. , vol.102 , pp. 3163
- Biermann, D.¹ Schmidt, W.²

133
- 34250014905
- F. de Jong and M. Janseen, J.C.S. Perkins II 1972, 573.
- J.C.S. Perkins II , vol.1972 , pp. 573
- De Jong, F.¹ Janseen, M.²

134
- 0028792483
- M. P. Fulscher and B. Roos, J. Am. Chem. Soc. 117, 2089 (1995).
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 2089
- Fulscher, M.P.¹ Roos, B.²

135
- 0034671312
- A. B. J. Parusel, Phys. Chem. Chem. Phys. 2000, 5545.
- Phys. Chem. Chem. Phys. , vol.2000 , pp. 5545
- Parusel, A.B.J.¹

136
- 0000724274
- C.-O. Almbladh and U. von Barth, Phys. Rev. B 31, 3231 (1985).
- (1985) Phys. Rev. B , vol.31 , pp. 3231
- Almbladh, C.-O.¹ Von Barth, U.²

137
- 3242660081
- O. Gritsenko and E. J. Baerends, J. Chem. Phys. 121, 655 (2004).
- (2004) J. Chem. Phys. , vol.121 , pp. 655
- Gritsenko, O.¹ Baerends, E.J.²

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