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Physical Review Letters

Volumn 93, Issue 21, 2004, Pages

Electrical response of molecular chains from density functional theory

(3) Kümmel, Stephan a Kronik, Leeor b Perdew, John P c

a MAX PLANCK INSTITUT FÜR PHYSIK KOMPLEXER SYSTEME (Germany)

b WEIZMANN INSTITUTE OF SCIENCE (Israel)

c Tulane University (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRIC FIELD EFFECTS; ELECTRON DENSITY MEASUREMENT; ELECTRON MOBILITY; ELECTRONS; GROUND STATE; NONLINEAR OPTICS; OPTIMIZATION; POLYACETYLENES;

EXCHANGE POTENTIAL; HYDROGEN CHAINS; KOHN-SHAM DENSITY-FUNCTIONAL THEORY; MOLECULAR CHAINS;

HYDROGEN;

EID: 37649029459 PISSN: 00319007 EISSN: None Source Type: Journal
DOI: 10.1103/PhysRevLett.93.213002 Document Type: Article

Times cited : (146)

References (38)

1
- 0142175456
- D. R. Kanis, M. A. Ratner, and T.J. Marks, Chem. Rev. 94, 195 (1994).
- (1994) Chem. Rev. , vol.94 , pp. 195
- Kanis, D.R.¹ Ratner, M.A.² Marks, T.J.³

2
- 0038527530
- B. Champagne et al., J. Chem. Phys. 109, 10489 (1998).
- (1998) J. Chem. Phys. , vol.109 , pp. 10489
- Champagne, B.¹

3
- 3343023108
- S.J. A. van Gisbergen et al., Phys. Rev. Lett. 83, 694 (1999).
- (1999) Phys. Rev. Lett. , vol.83 , pp. 694
- Van Gisbergen, S.J.A.¹

4
- 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

5
- 0035934184
- H. Iikura et al., J. Chem. Phys. 115, 3540 (2001).
- (2001) J. Chem. Phys. , vol.115 , pp. 3540
- Iikura, H.¹

6
- 0042748566
- A. Abdurahman, A. Shukla, and G. Seifert, Phys. Rev. B 66, 155423 (2002).
- (2002) Phys. Rev. B , vol.66 , pp. 155423
- Abdurahman, A.¹ Shukla, A.² Seifert, G.³

7
- 0037091197
- M. Grüning, O.V. Gritsenko, and E.J. Baerends, J. Chem. Phys. 116, 6435 (2002).
- (2002) J. Chem. Phys. , vol.116 , pp. 6435
- Grüning, M.¹ Gritsenko, O.V.² Baerends, E.J.³

8
- 0346150047
- P. Mori-Sánchez, Q. Wu, and W. Yang, J. Chem. Phys. 119, 11001 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 11001
- Mori-Sánchez, P.¹ Wu, Q.² Yang, W.³

9
- 10944260329
- S. Kümmel, J. Comput. Phys. 201, 333 (2004).
- (2004) J. Comput. Phys. , vol.201 , pp. 333
- Kümmel, S.¹

10
- 3342914252
- X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 74, 4035 (1995); R. Resta, Phys. Rev. Lett. 77, 2265 (1996); R. M. Martin and G. Ortiz, Phys. Rev. Lett. 78, 2028 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 2029 (1997); R. Resta, Phys. Rev. Lett. 78, 2030 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 294 (1997); R. M. Martin and G. Ortiz, Phys. Rev. B 56, 1124 (1997); D. Vanderbilt, Phys. Rev. Lett. 79, 3966 (1997); G. Ortiz, I. Souza, and R. M. Martin, Phys. Rev. Lett. 80, 353 (1998).
- (1995) Phys. Rev. Lett. , vol.74 , pp. 4035
- Gonze, X.¹ Ghosez, Ph.² Godby, R.W.³

11
- 0030576780
- X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 74, 4035 (1995); R. Resta, Phys. Rev. Lett. 77, 2265 (1996); R. M. Martin and G. Ortiz, Phys. Rev. Lett. 78, 2028 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 2029 (1997); R. Resta, Phys. Rev. Lett. 78, 2030 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 294 (1997); R. M. Martin and G. Ortiz, Phys. Rev. B 56, 1124 (1997); D. Vanderbilt, Phys. Rev. Lett. 79, 3966 (1997); G. Ortiz, I. Souza, and R. M. Martin, Phys. Rev. Lett. 80, 353 (1998).
- (1996) Phys. Rev. Lett. , vol.77 , pp. 2265
- Resta, R.¹

12
- 10944232171
- X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 74, 4035 (1995); R. Resta, Phys. Rev. Lett. 77, 2265 (1996); R. M. Martin and G. Ortiz, Phys. Rev. Lett. 78, 2028 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 2029 (1997); R. Resta, Phys. Rev. Lett. 78, 2030 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 294 (1997); R. M. Martin and G. Ortiz, Phys. Rev. B 56, 1124 (1997); D. Vanderbilt, Phys. Rev. Lett. 79, 3966 (1997); G. Ortiz, I. Souza, and R. M. Martin, Phys. Rev. Lett. 80, 353 (1998).
- (1997) Phys. Rev. Lett. , vol.78 , pp. 2028
- Martin, R.M.¹ Ortiz, G.²

13
- 0005131312
- X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 74, 4035 (1995); R. Resta, Phys. Rev. Lett. 77, 2265 (1996); R. M. Martin and G. Ortiz, Phys. Rev. Lett. 78, 2028 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 2029 (1997); R. Resta, Phys. Rev. Lett. 78, 2030 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 294 (1997); R. M. Martin and G. Ortiz, Phys. Rev. B 56, 1124 (1997); D. Vanderbilt, Phys. Rev. Lett. 79, 3966 (1997); G. Ortiz, I. Souza, and R. M. Martin, Phys. Rev. Lett. 80, 353 (1998).
- (1997) Phys. Rev. Lett. , vol.78 , pp. 2029
- Gonze, X.¹ Ghosez, Ph.² Godby, R.W.³

14
- 33749411058
- X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 74, 4035 (1995); R. Resta, Phys. Rev. Lett. 77, 2265 (1996); R. M. Martin and G. Ortiz, Phys. Rev. Lett. 78, 2028 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 2029 (1997); R. Resta, Phys. Rev. Lett. 78, 2030 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 294 (1997); R. M. Martin and G. Ortiz, Phys. Rev. B 56, 1124 (1997); D. Vanderbilt, Phys. Rev. Lett. 79, 3966 (1997); G. Ortiz, I. Souza, and R. M. Martin, Phys. Rev. Lett. 80, 353 (1998).
- (1997) Phys. Rev. Lett. , vol.78 , pp. 2030
- Resta, R.¹

15
- 0005131312
- X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 74, 4035 (1995); R. Resta, Phys. Rev. Lett. 77, 2265 (1996); R. M. Martin and G. Ortiz, Phys. Rev. Lett. 78, 2028 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 2029 (1997); R. Resta, Phys. Rev. Lett. 78, 2030 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 294 (1997); R. M. Martin and G. Ortiz, Phys. Rev. B 56, 1124 (1997); D. Vanderbilt, Phys. Rev. Lett. 79, 3966 (1997); G. Ortiz, I. Souza, and R. M. Martin, Phys. Rev. Lett. 80, 353 (1998).
- (1997) Phys. Rev. Lett. , vol.78 , pp. 294
- Gonze, X.¹ Ghosez, Ph.² Godby, R.W.³

16
- 0000530316
- X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 74, 4035 (1995); R. Resta, Phys. Rev. Lett. 77, 2265 (1996); R. M. Martin and G. Ortiz, Phys. Rev. Lett. 78, 2028 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 2029 (1997); R. Resta, Phys. Rev. Lett. 78, 2030 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 294 (1997); R. M. Martin and G. Ortiz, Phys. Rev. B 56, 1124 (1997); D. Vanderbilt, Phys. Rev. Lett. 79, 3966 (1997); G. Ortiz, I. Souza, and R. M. Martin, Phys. Rev. Lett. 80, 353 (1998).
- (1997) Phys. Rev. B , vol.56 , pp. 1124
- Martin, R.M.¹ Ortiz, G.²

17
- 0031273081
- X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 74, 4035 (1995); R. Resta, Phys. Rev. Lett. 77, 2265 (1996); R. M. Martin and G. Ortiz, Phys. Rev. Lett. 78, 2028 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 2029 (1997); R. Resta, Phys. Rev. Lett. 78, 2030 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 294 (1997); R. M. Martin and G. Ortiz, Phys. Rev. B 56, 1124 (1997); D. Vanderbilt, Phys. Rev. Lett. 79, 3966 (1997); G. Ortiz, I. Souza, and R. M. Martin, Phys. Rev. Lett. 80, 353 (1998).
- (1997) Phys. Rev. Lett. , vol.79 , pp. 3966
- Vanderbilt, D.¹

18
- 0001561430
- X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 74, 4035 (1995); R. Resta, Phys. Rev. Lett. 77, 2265 (1996); R. M. Martin and G. Ortiz, Phys. Rev. Lett. 78, 2028 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 2029 (1997); R. Resta, Phys. Rev. Lett. 78, 2030 (1997); X. Gonze, Ph. Ghosez, and R.W. Godby, Phys. Rev. Lett. 78, 294 (1997); R. M. Martin and G. Ortiz, Phys. Rev. B 56, 1124 (1997); D. Vanderbilt, Phys. Rev. Lett. 79, 3966 (1997); G. Ortiz, I. Souza, and R. M. Martin, Phys. Rev. Lett. 80, 353 (1998).
- (1998) Phys. Rev. Lett. , vol.80 , pp. 353
- Ortiz, G.¹ Souza, I.² Martin, R.M.³

19
- 0000293938
- V. Sahni, J. Gruenebaum, and J. P. Perdew, Phys. Rev. B 26, 4371 (1982).
- (1982) Phys. Rev. B , vol.26 , pp. 4371
- Sahni, V.¹ Gruenebaum, J.² Perdew, J.P.³

20
- 0003846693
- edited by V. Anisimov Gordon & Breach, Tokyo
- T. Grabo et al., in Strong Coulomb Correlation in Electronic Structure, edited by V. Anisimov (Gordon & Breach, Tokyo, 2000).
- (2000) Strong Coulomb Correlation in Electronic Structure
- Grabo, T.¹

21
- 0345602036
- S. Kümmel and J.P. Perdew, Phys. Rev. B 68, 035103 (2003).
- (2003) Phys. Rev. B , vol.68 , pp. 035103
- Kümmel, S.¹ Perdew, J.P.²

22
- 0000442705
- A. Görling, Phys. Rev. Lett. 83, 5459 (1999).
- (1999) Phys. Rev. Lett. , vol.83 , pp. 5459
- Görling, A.¹

23
- 0000619142
- S. Ivanov, S. Hirata, and R. J. Bartlett, Phys. Rev. Lett. 83, 5455 (1999).
- (1999) Phys. Rev. Lett. , vol.83 , pp. 5455
- Ivanov, S.¹ Hirata, S.² Bartlett, R.J.³

24
- 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

25
- 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

26
- 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

27
- 0000082356
- B. Champagne et al., Phys. Rev. A 52, 178 (1995); 52, 1039 (1995).
- (1995) Phys. Rev. A , vol.52 , pp. 178
- Champagne, B.¹

28
- 10944231706
- B. Champagne et al., Phys. Rev. A 52, 178 (1995); 52, 1039 (1995).
- (1995) Phys. Rev. A , vol.52 , pp. 1039

29
- 0037030078
- M. Van Faassen et al., Phys. Rev. Lett. 88, 186401 (2002).
- (2002) Phys. Rev. Lett. , vol.88 , pp. 186401
- Van Faassen, M.¹

30
- 10944222481
- to be published
- S. Kümmel and L. Kronik, Comput Mater. Sci. (to be published).
- Comput Mater. Sci.
- Kümmel, S.¹ Kronik, L.²

31
- 0018605084
- M. Levy, Proc. Natl. Acad. Sci. U.S.A. 76, 6062 (1979).
- (1979) Proc. Natl. Acad. Sci. U.S.A. , vol.76 , pp. 6062
- Levy, M.¹

32
- 10944244408
- note
- The difference between Kohn-Sham exchange and HF exchange is hard to approximate, see section III of [13].

33
- 0003833820
- edited by R. F. Nalewajski, Topics in Current Chemistry (Springer, Berlin)
- E. K. U. Gross, J. F. Dobson, and M. Petersilka, in Density Functional Theory, edited by R. F. Nalewajski, Topics in Current Chemistry Vol. 181 (Springer, Berlin 1996).
- (1996) Density Functional Theory , vol.181
- Gross, E.K.U.¹ Dobson, J.F.² Petersilka, M.³

34
- 0001132752
- J. P. Perdew et al., Phys. Rev. Lett. 49, 1691 (1982).
- (1982) Phys. Rev. Lett. , vol.49 , pp. 1691
- Perdew, J.P.¹

35
- 0034228891
- O.V. Gritsenko et al., Phys. Rev. A 62, 012507 (2000).
- (2000) Phys. Rev. A , vol.62 , pp. 012507
- Gritsenko, O.V.¹

36
- 10944265869
- S. Kümmel (unpublished)
- S. Kümmel (unpublished).

37
- 11944252202
- J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A 45, 101 (1992).
- (1992) Phys. Rev. A , vol.45 , pp. 101
- Krieger, J.B.¹ Li, Y.² Iafrate, G.J.³

38
- 0942279182
- Also see D. J. Tozer, J. Chem. Phys. 119, 12697 (2003).
- (2003) J. Chem. Phys. , vol.119 , pp. 12697
- Tozer, D.J.¹

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