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Physical Review B - Condensed Matter and Materials Physics

Volumn 59, Issue 11, 1999, Pages 7413-7421

Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

(3) Hammer, B a Hansen, L B b Norskov J K b

a AALBORG UNIVERSITY (Denmark)

b TECHNICAL UNIVERSITY OF DENMARK (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 4644265529 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.59.7413 Document Type: Article

Times cited : (6821)

References (52)

1
- 51149210200
- R. O. Jones and O. Gunnarsson, Rev. Mod. Phys., 61, 689 (1989).
- (1989) Rev. Mod. Phys. , vol.61 , pp. 689
- Jones, R.O.¹ Gunnarsson, O.²

2
- 23244460838
- J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B, 46, 6671 (1992).
- (1992) Phys. Rev. B , vol.46 , pp. 6671
- Perdew, J.P.¹ Chevary, J.A.² Vosko, S.H.³ Jackson, K.A.⁴ Pederson, M.R.⁵ Singh, D.J.⁶ Fiolhais, C.⁷

3
- 0001681221
- X. J. Kong, C. T. Chan, K. M. Ho, and Y. Y. Ye, Phys. Rev. B, 42, 9357 (1990).
- (1990) Phys. Rev. B , vol.42 , pp. 9357
- Kong, X.J.¹ Chan, C.T.² Ho, K.M.³ Ye, Y.Y.⁴

4
- 0000146437
- G. Ortiz, Phys. Rev. B, 45, 11 328 (1992).
- (1992) Phys. Rev. B , vol.45 , pp. 11 328
- Ortiz, G.¹

5
- 35949008104
- M. Körling and J. Häglund, Phys. Rev. B, 45, 13 293 (1992).
- (1992) Phys. Rev. B , vol.45 , pp. 13 293
- Körling, M.¹ Häglund, J.²

6
- 0001559866
- A. Garcia, C. Elsässer, J. Zhu, S. G. Louie, and M. L. Cohen, Phys. Rev. B, 46, 9829 (1992).
- (1992) Phys. Rev. B , vol.46 , pp. 9829
- Garcia, A.¹ Elsässer, C.² Zhu, J.³ Louie, S.G.⁴ Cohen, M.L.⁵

7
- 0000753658
- D. L. Novikov, A. J. Freeman, N. E. Christensen, A. Svane, and C. O. Rodriquez, Phys. Rev. B, 56, 7206 (1997).
- (1997) Phys. Rev. B , vol.56 , pp. 7206
- Novikov, D.L.¹ Freeman, A.J.² Christensen, N.E.³ Svane, A.⁴ Rodriquez, C.O.⁵

8
- 0000106812
- B. Hammer, K. W. Jacobsen, and J. K. Nørskov, Phys. Rev. Lett., 70, 3971 (1993).
- (1993) Phys. Rev. Lett. , vol.70 , pp. 3971
- Hammer, B.¹ Jacobsen, K.W.² Nørskov, J.K.³

9
- 0001383507
- P. H. T. Philipsen, G. te Velde, and E. J. Baerends, Chem. Phys. Lett., 226, 583 (1994).
- (1994) Chem. Phys. Lett. , vol.226 , pp. 583
- Philipsen, P.H.T.¹ Te Velde, G.² Baerends, E.J.³

10
- 43949151924
- P. Hu, D. A. King, S. Crampin, M.-H. Lee, and M. C. Payne, Chem. Phys. Lett., 230, 501 (1994).
- (1994) Chem. Phys. Lett. , vol.230 , pp. 501
- Hu, P.¹ King, D.A.² Crampin, S.³ Lee, M.-H.⁴ Payne, M.C.⁵

11
- 3342969904
- B. Hammer, M. Scheffler, K. W. Jacobsen, and J. K. Nørskov, Phys. Rev. Lett., 73, 1400 (1994).
- (1994) Phys. Rev. Lett. , vol.73 , pp. 1400
- Hammer, B.¹ Scheffler, M.² Jacobsen, K.W.³ Nørskov, J.K.⁴

12
- 3342950640
- J. A. White, D. M. Bird, M. C. Payne, and I. Stich, Phys. Rev. Lett., 73, 1404 (1994).
- (1994) Phys. Rev. Lett. , vol.73 , pp. 1404
- White, J.A.¹ Bird, D.M.² Payne, M.C.³ Stich, I.⁴

13
- 4243943295
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett., 77, 3865 (1996).
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

14
- 85029400214
- Y. Zhang and W. Yang, Phys. Rev. Lett., 80, 890 (1998).
- (1998) Phys. Rev. Lett. , vol.80 , pp. 890
- Zhang, Y.¹ Yang, W.²

15
- 84983920937
- E. H. Lieb and S. Oxford, Int. J. Quantum Chem., 19, 427 (1981).
- (1981) Int. J. Quantum Chem. , vol.19 , pp. 427
- Lieb, E.H.¹ Oxford, S.²

16
- 0009657327
- P. Ziesche and H. Eschrig (Akademie Verlag, Berlin
- J. P. Perdew, in Unified Theory of Exchange and Correlation Beyond the Local Density Approximation, Electronic Structure of Solids’91, edited by P. Ziesche and H. Eschrig (Akademie Verlag, Berlin, 1991), p. 11.
- (1991) Unified Theory of Exchange and Correlation beyond the Local Density Approximation, Electronic Structure of Solids’91 , pp. 11
- Perdew, J.P.¹

17
- 85026334466
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett., 80, 891 (1998).
- (1998) Phys. Rev. Lett. , vol.80 , pp. 891
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

18
- 11944256577
- M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, and J. D. Joannopoulos, Rev. Mod. Phys., 64, 1045 (1992).
- (1992) Rev. Mod. Phys. , vol.64 , pp. 1045
- Payne, M.C.¹ Teter, M.P.² Allan, D.C.³ Arias, T.A.⁴ Joannopoulos, J.D.⁵

19
- 20544463457
- D. H. Vanderbilt, Phys. Rev. B, 41, 7892 (1990).
- (1990) Phys. Rev. B , vol.41 , pp. 7892
- Vanderbilt, D.H.¹

20
- 0000549623
- S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B, 26, 1738 (1982).
- (1982) Phys. Rev. B , vol.26 , pp. 1738
- Louie, S.G.¹ Froyen, S.² Cohen, M.L.³

21
- 33748606013
- J. Neugebauer and M. Scheffler, Phys. Rev. B, 46, 16 067 (1992).
- (1992) Phys. Rev. B , vol.46 , pp. 16 067
- Neugebauer, J.¹ Scheffler, M.²

22
- 0030190741
- G. Kresse and J. Forthmüller, Comput. Mater. Sci., 6, 15 (1996).
- (1996) Comput. Mater. Sci. , vol.6 , pp. 15
- Kresse, G.¹ Forthmüller, J.²

23
- 0001582065
- F. W. Kutzler and G. S. Painter, Phys. Rev. Lett., 59, 1285 (1987).
- (1987) Phys. Rev. Lett. , vol.59 , pp. 1285
- Kutzler, F.W.¹ Painter, G.S.²

24
- 0000933655
- J. A. White and D. M. Bird, Phys. Rev. B, 50, 4954 (1994).
- (1994) Phys. Rev. B , vol.50 , pp. 4954
- White, J.A.¹ Bird, D.M.²

25
- 33744691386
- D. M. Ceperley and B. J. Alder, Phys. Rev. Lett., 45, 566 (1980).
- (1980) Phys. Rev. Lett. , vol.45 , pp. 566
- Ceperley, D.M.¹ Alder, B.J.²

26
- 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

27
- 0032023409
- W. A. Brown, R. Kose, and D. A. King, Chem. Rev., 98, 797 (1998).
- (1998) Chem. Rev. , vol.98 , pp. 797
- Brown, W.A.¹ Kose, R.² King, D.A.³

28
- 0000627431
- Y. Y. Yeo, L. Vattuone, and D. A. King, J. Chem. Phys., 106, 1990 (1997).
- (1997) J. Chem. Phys. , vol.106 , pp. 1990
- Yeo, Y.Y.¹ Vattuone, L.² King, D.A.³

29
- 0031168839
- D. H. Wei, D. C. Skelton, and S. D. Kevan, Surf. Sci., 381, 49 (1997).
- (1997) Surf. Sci. , vol.381 , pp. 49
- Wei, D.H.¹ Skelton, D.C.² Kevan, S.D.³

30
- 0011766126
- R. A. Van Santen and M. Neurock, Catal. Rev. Sci. Eng., 37, 557 (1995).
- (1995) Catal. Rev. Sci. Eng. , vol.37 , pp. 557
- Van Santen, R.A.¹ Neurock, M.²

31
- 3342922611
- B. Hammer, Y. Morikawa, and J. K. Nørskov, Phys. Rev. Lett., 76, 2141 (1996).
- (1996) Phys. Rev. Lett. , vol.76 , pp. 2141
- Hammer, B.¹ Morikawa, Y.² Nørskov, J.K.³

32
- 4243309100
- P. A. Gravil, D. M. Bird, and J. A. White, Phys. Rev. Lett., 77, 3933 (1996).
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3933
- Gravil, P.A.¹ Bird, D.M.² White, J.A.³

33
- 3042945640
- S. Wilke and M. Scheffler, Phys. Rev. B, 53, 4926 (1996).
- (1996) Phys. Rev. B , vol.53 , pp. 4926
- Wilke, S.¹ Scheffler, M.²

34
- 0002306679
- B. Hammer, O. H. Nielsen, and J. K. Nørskov, Catal. Lett., 43, 31 (1997).
- (1997) Catal. Lett. , vol.43 , pp. 31
- Hammer, B.¹ Nielsen, O.H.² Nørskov, J.K.³

35
- 0000967211
- C. Stempfl and M. Scheffler, Phys. Rev. Lett., 78, 1500 (1997).
- (1997) Phys. Rev. Lett. , vol.78 , pp. 1500
- Stempfl, C.¹ Scheffler, M.²

36
- 0000172311
- B. Hammer and J. K. Nørskov, Phys. Rev. Lett., 79, 4441 (1997).
- (1997) Phys. Rev. Lett. , vol.79 , pp. 4441
- Hammer, B.¹ Nørskov, J.K.²

37
- 0344599225
- A. Eichler and J. Hafner, Phys. Rev. Lett., 79, 4481 (1997).
- (1997) Phys. Rev. Lett. , vol.79 , pp. 4481
- Eichler, A.¹ Hafner, J.²

38
- 0000341581
- J. J. Mortensen, B. Hammer, and J. K. Nørskov, Phys. Rev. Lett., 80, 4333 (1998).
- (1998) Phys. Rev. Lett. , vol.80 , pp. 4333
- Mortensen, J.J.¹ Hammer, B.² Nørskov, J.K.³

39
- 0542395693
- A. Bogicevic, J. Strömquist, and B. Lundqvist, Phys. Rev. B, 57, 4289 (1998).
- (1998) Phys. Rev. B , vol.57 , pp. 4289
- Bogicevic, A.¹ Strömquist, J.² Lundqvist, B.³

40
- 11544320930
- M. Mavrikakis, B. Hammer, and J. K. Nørskov, Phys. Rev. Lett., 81, 2819 (1998).
- (1998) Phys. Rev. Lett. , vol.81 , pp. 2819
- Mavrikakis, M.¹ Hammer, B.² Nørskov, J.K.³

41
- 2742541332
- B. Hammer, Faraday Discuss. Chem. Soc., 110, 323 (1998).
- (1998) Faraday Discuss. Chem. Soc. , vol.110 , pp. 323
- Hammer, B.¹

42
- 85038979280
- to be published
- J. J. Mortensen, L. B. Hansen, B. Hammer, and J. K. Nørskov, J. Catal. (to be published).
- Mortensen, J.J.¹ Hansen, L.B.² Hammer, B.³ Nørskov, J.K.⁴ Catal, J.⁵

43
- 0000425140
- A. Zupan, K. Burke, M. Ernzerhof, and J. P. Perdew, J. Chem. Phys., 106, 10 184 (1997).
- (1997) J. Chem. Phys. , vol.106 , pp. 10 184
- Zupan, A.¹ Burke, K.² Ernzerhof, M.³ Perdew, J.P.⁴

44
- 0011207297
- F. G. Cruz, K.-C. Lam, and K. Burke, J. Phys. Chem. A, 102, 4911 (1998).
- (1998) J. Phys. Chem. A , vol.102 , pp. 4911
- Cruz, F.G.¹ Lam, K.-C.² Burke, K.³

45
- 85038987181
- http://www.fysik.dtu.dk/rpbe

46
- 0001743464
- J. M. Pitarke and A. G. Equiluz, Phys. Rev. B, 57, 6329 (1998).
- (1998) Phys. Rev. B , vol.57 , pp. 6329
- Pitarke, J.M.¹ Equiluz, A.G.²

47
- 0001157943
- D. R. Jennison, P. A. Schultz, and M. P. Sears, Phys. Rev. Lett., 77, 4828 (1996).
- (1996) Phys. Rev. Lett. , vol.77 , pp. 4828
- Jennison, D.R.¹ Schultz, P.A.² Sears, M.P.³

48
- 0003515569
- Wiley-Interscience, New York
- R. I. Masel, Principles of Adsorption and Reaction on Solid Surfaces (Wiley-Interscience, New York, 1996).
- (1996) Principles of Adsorption and Reaction on Solid Surfaces
- Masel, R.I.¹

49
- 36449005489
- J. Ellis, J. P. Toennies, and G. Witte, J. Chem. Phys., 102, 5059 (1995).
- (1995) J. Chem. Phys. , vol.102 , pp. 5059
- Ellis, J.¹ Toennies, J.P.² Witte, G.³

50
- 0016072146
- H. Conrad, G. Ertl, J. Koch, and E. E. Latta, Surf. Sci., 43, 462 (1974).
- (1974) Surf. Sci. , vol.43 , pp. 462
- Conrad, H.¹ Ertl, G.² Koch, J.³ Latta, E.E.⁴

51
- 0028740213
- R. D. Ramsier, Q. Gao, H. Neergaard, K. Waltenburg.-W. Lee, O. W. Nooij, L. Lefferts, and J. T. Yates, Jr., Surf. Sci., 320, 209 (1994).
- (1994) Surf. Sci. , vol.320 , pp. 209
- Ramsier, R.D.¹ Gao, Q.² Neergaard, H.³ Waltenburg, K.⁴ Lee, W.⁵ Nooij, O.W.⁶ Lefferts, L.⁷ Yates, J.T.⁸

52
- 6844241006
- University Science Books, Mill Valley, California
- H. B. Gray, Chemical Bonds: An Introduction to Atomic and Molecular Structure (University Science Books, Mill Valley, California, 1994).
- (1994) Chemical Bonds: An Introduction to Atomic and Molecular Structure
- Gray, H.B.¹

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