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Physical Review B - Condensed Matter and Materials Physics

Volumn 53, Issue 16, 1996, Pages 11222-11241

General potential-energy function for H/Ni and dynamics calculations of surface diffusion, bulk diffusion, subsurface-to-surface transport, and absorption

(2) Wonchoba, Steven E a Truhlar, Donald G a

a UNIVERSITY OF MINNESOTA (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001109707 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.53.11222 Document Type: Article

Times cited : (42)

References (81)

1
- 0004000063
- Many-Atom Interactions in Solids, edited by R. M. Nieminen, M. J. Puska, and M. J. Manninen (Springer-Verlag, Berlin, 1990).
- (1990) Many-Atom Interactions in Solids

2
- 4244079381
- M. S. Daw and M. I. Baskes, Phys. Rev. B 29, 6443 (1984).
- (1984) Phys. Rev. B , vol.29 , pp. 6443
- Daw, M.¹ Baskes, M.²

3
- 5844383856
- S. M. Foiles, M. I. Baskes and M. S. Daw, Phys. Rev. B 33, 7983 (1986).
- (1986) Phys. Rev. B , vol.33 , pp. 7983
- Foiles, S.¹ Baskes, M.² Daw, M.³

4
- 0022682586
- S. M. Foiles, M. I. Baskes, C. F. Melius and M. S. Daw, J. Less-Common Met. 130, 465 (1987).
- (1987) J. Less-Common Met. , vol.130 , pp. 465
- Foiles, S.¹ Baskes, M.² Melius, C.³ Daw, M.⁴

5
- 30244480052
- M. S. Daw, Phys. Rev. B 39, 7441 (1989).
- (1989) Phys. Rev. B , vol.39 , pp. 7441
- Daw, M.¹

6
- 43049117263
- M. S. Daw, S. M. Foiles and M. I. Baskes, Mater. Sci. Rep. 9, 251 (1993).
- (1993) Mater. Sci. Rep. , vol.9 , pp. 251
- Daw, M.¹ Foiles, S.² Baskes, M.³

7
- 0001202902
- T. N. Truong, D. G. Truhlar and B. C. Garrett, J. Phys. Chem. 93, 8227 (1989).
- (1989) J. Phys. Chem. , vol.93 , pp. 8227
- Truong, T.¹ Truhlar, D.² Garrett, B.³

8
- 0005683521
- T. N. Truong and D. G. Truhlar, J. Phys. Chem. 94, 8262 (1990).
- (1990) J. Phys. Chem. , vol.94 , pp. 8262
- Truong, T.¹ Truhlar, D.²

9
- 36549096879
- B. M. Rice, B. C. Garrett, M. L. Koszykowski, S. M. Foiles and M. S. Daw, J. Chem. Phys. 92, 775 (1990).
- (1990) J. Chem. Phys. , vol.92 , pp. 775
- Rice, B.¹ Garrett, B.² Koszykowski, M.³ Foiles, S.⁴ Daw, M.⁵

10
- 33749095083
- B. M. Rice, B. C. Garrett, M. L. Koszykowski, S. M. Foiles and M. S. Daw, J. Chem. Phys. 100, 8556 (1994)(E).
- (1994) J. Chem. Phys. , vol.100 , pp. 8556
- Rice, B.¹ Garrett, B.² Koszykowski, M.³ Foiles, S.⁴ Daw, M.⁵

11
- 33846960024
- S. E. Wonchoba, W.-P. Hu and D. G. Truhlar, Phys. Rev. B 51, 9985 (1995).
- (1995) Phys. Rev. B , vol.51 , pp. 9985
- Wonchoba, S.¹ Truhlar, D.²

12
- 0000830826
- K. J. Maynard, A. D. Johnson, S. P. Daley and S. T. Ceyer, Faraday Discuss. Chem. Soc. 91, 437 (1991).
- (1991) Faraday Discuss. Chem. Soc. , vol.91 , pp. 437
- Maynard, K.¹ Johnson, A.² Daley, S.³ Ceyer, S.⁴

13
- 33847085308
- D. G. Truhlar and B. C. Garrett, Acc. Chem. Res. 13, 440 (1980).
- (1980) Acc. Chem. Res. , vol.13 , pp. 440
- Truhlar, D.¹ Garrett, B.²

14
- 0000651090
- D. G. Truhlar and B. C. Garrett, Annu. Rev. Phys. Chem. 35, 159 (1984).
- (1984) Annu. Rev. Phys. Chem. , vol.35 , pp. 159
- Truhlar, D.¹ Garrett, B.²

15
- 0003767850
- D. G. Truhlar, A. D. Isaacson, and B. C. Garrett, in Theory of Chemical Reaction Dynamics, edited by M. Baer (CRC Press, Boca Raton, FL, 1985), pp. 65-137.
- (1985) Theory of Chemical Reaction Dynamics , pp. 65-137
- Truhlar, D.¹ Isaacson, A.² Garrett, B.³

16
- 0001176842
- D. G. Truhlar and B. C. Garrett, J. Chem. Phys. 84, 365 (1987).
- (1987) J. Chem. Phys. , vol.84 , pp. 365
- Truhlar, D.¹ Garrett, B.²

17
- 0001432896
- S. C. Tucker and D. G. Truhlar, in New Theoretical Methods for Understanding Organic Reactions, edited by J. Bertran and I. G. Csizmadia (Kluwer, Dordrecht, 1989), pp. 291-346.
- New Theoretical Methods for Understanding Organic Reactions , pp. 291-346
- Tucker, S.¹ Truhlar, D.²

18
- 0026914573
- D.-h. Lu, T. N. Truong, V. S. Melissas, G. C. Lynch, Y.-P. Liu, B. C. Garrett, R. Steckler, A. D. Isaacson, S. N. Rai, G. Hancock, J. G. Lauderdale, T. Joseph and D. G. Truhlar, Comput. Phys. Commun. 71, 235 (1992).
- (1992) Comput. Phys. Commun. , vol.71 , pp. 235
- Truong, T.¹ Melissas, V.² Lynch, G.³ Garrett, B.⁴ Steckler, R.⁵ Isaacson, A.⁶ Rai, S.⁷ Hancock, G.⁸ Lauderdale, J.⁹ Joseph, T.¹⁰ Truhlar, D.¹¹

19
- 0001744163
- J. G. Lauderdale and D. G. Truhlar, J. Chem. Phys. 84, 1843 (1986).
- (1986) J. Chem. Phys. , vol.84 , pp. 1843
- Lauderdale, J.¹ Truhlar, D.²

20
- 0001324149
- A. F. Voter and J. D. Doll, J. Chem. Phys. 80, 5832 (1984).
- (1984) J. Chem. Phys. , vol.80 , pp. 5832
- Voter, A.¹ Doll, J.²

21
- 0000973674
- S. M. Valone, A. F. Voter and J. D. Doll, Surf. Sci. 155, 687 (1985).
- (1985) Surf. Sci. , vol.155 , pp. 687
- Valone, S.¹ Voter, A.² Doll, J.³

22
- 0001571509
- S. E. Wonchoba and D. G. Truhlar, J. Chem. Phys. 99, 9637 (1993).
- (1993) J. Chem. Phys. , vol.99 , pp. 9637
- Wonchoba, S.¹ Truhlar, D.²

23
- 0003767856
- D. G. Truhlar, F. B. Brown, R. Steckler, and A. D. Isaacson, in The Theory of Chemical Reaction Dynamics, edited by D. C. Clary (Reidel, Dordrecht, 1986), p. 285.
- (1986) The Theory of Chemical Reaction Dynamics , pp. 285
- Truhlar, D.¹ Brown, F.² Steckler, R.³ Isaacson, A.⁴

24
- 0346496800
- B. C. Garrett, M. J. Redmon, R. Steckler, D. G. Truhlar, K. K. Baldridge, D. Bartol, M. W. Schmidt and M. S. Gordon, J. Phys. Chem. 92, 1476 (1988).
- (1988) J. Phys. Chem. , vol.92 , pp. 1476
- Garrett, B.¹ Redmon, M.² Steckler, R.³ Truhlar, D.⁴ Baldridge, K.⁵ Bartol, D.⁶ Schmidt, M.⁷ Gordon, M.⁸

25
- 36849115250
- R. A. Marcus, J. Chem. Phys. 49, 2610 (1968).
- (1968) J. Chem. Phys. , vol.49 , pp. 2610
- Marcus, R.¹

26
- 36849107303
- I. Shavitt, J. Chem. Phys. 49, 4048 (1968).
- (1968) J. Chem. Phys. , vol.49 , pp. 4048
- Shavitt, I.¹

27
- 33947293427
- D. G. Truhlar and A. Kuppermann, J. Am. Chem. Soc. 93, 1840 (1971).
- (1971) J. Am. Chem. Soc. , vol.93 , pp. 1840
- Truhlar, D.¹ Kuppermann, A.²

28
- 0002646601
- K. Fukui, in The World of Quantum Chemistry, edited by R. Daudel and B. Pullman (Reidel, Dordrecht, 1974), p. 113.
- The World of Quantum Chemistry , pp. 113
- Fukui, K.¹

29
- 0001131733
- H. F. Schaefer III, Chem. Brit. 11, 227 (1975).
- (1975) Chem. Brit. , vol.11 , pp. 227
- Schaefer, H.¹

30
- 33947093566
- D. G. Truhlar, J. Chem. Educ. 55, 309 (1978).
- (1978) J. Chem. Educ. , vol.55 , pp. 309
- Truhlar, D.¹

31
- 0001753062
- J. H. Rose, J. R. Smith, F. Guinea and J. Ferrante, Phys. Rev. B 29, 2963 (1984).
- (1984) Phys. Rev. B , vol.29 , pp. 2963
- Rose, J.¹ Smith, J.² Guinea, F.³ Ferrante, J.⁴

32
- 0003406742
- Wiley, New York
- C. Kittel, Introduction to Solid State Physics, 6th ed. (Wiley, New York, 1986).
- (1986) Introduction to Solid State Physics, 6th ed.
- Kittel, C.¹

33
- 84984093844
- H. Bakker, Phys. Status Solidi 28, 569 (1968).
- (1968) Phys. Status Solidi , vol.28 , pp. 569
- Bakker, H.¹

34
- 36049059411
- R. A. Johnson, Phys. Rev. 145, 423 (1965).
- (1965) Phys. Rev. , vol.145 , pp. 423
- Johnson, R.¹

35
- 84927904052
- A. A. Mamalui, T. D. Ostinskaya, V. A. Pervakov and V. I. Khomkevich, Fiz. Tverd. Tela (Leningrad) 10, 2892 (1968) [Sov. Phys. Solid State 10, 2290 (1969)].
- (1968) Fiz. Tverd. Tela (Leningrad) , vol.10 , pp. 2892
- Mamalui, A.¹ Ostinskaya, T.² Pervakov, V.³ Khomkevich, V.⁴

36
- 0017930375
- W. Wycisk and M. Feller-Kniepmeier, J. Nucl. Mater. 69&70, 616 (1978).
- (1978) J. Nucl. Mater. , vol.69-70 , pp. 616
- Wycisk, W.¹ Feller-Kniepmeier, M.²

37
- 0003798546
- MIT Press, Cambridge, MA
- G. Simmons and H. Wang, Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook (MIT Press, Cambridge, MA, 1971).
- (1971) Single Crystal Elastic Constants and Calculated Aggregate Properties: A Handbook
- Simmons, G.¹ Wang, H.²

38
- 85037903500
- T.-S. Lin and R. Gomer, Surf. Sci. 225, 41 (1991).
- (1991) Surf. Sci. , vol.225 , pp. 41
- Gomer, R.¹

39
- 0042512194
- A. Lee, X. D. Zhu, A. Wong, L. Deng and U. Linke, Phys. Rev. B 48, 11t256 (1993).
- (1993) Phys. Rev. B , vol.48 , pp. 11256
- Lee, A.¹ Zhu, X.² Wong, A.³ Deng, L.⁴ Linke, U.⁵

40
- 0003474751
- Cambridge University Press, Ithaca, NY
- W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in FORTRAN, 2nd ed. (Cambridge University Press, Ithaca, NY, 1992).
- (1992) Numerical Recipes in FORTRAN, 2nd ed.
- Press, W.¹ Teukolsky, S.² Vetterling, W.³ Flannery, B.⁴

41
- 0000788142
- A. Lee, X. D. Zhu, L. Deng and U. Linke, Phys. Rev. B 46, 15t472 (1992).
- (1992) Phys. Rev. B , vol.46 , pp. 15472
- Lee, A.¹ Zhu, X.² Deng, L.³ Linke, U.⁴

42
- 0037602648
- J. Lapujoulade and K. S. Neil, Surf. Sci. 35, 288 (1973).
- (1973) Surf. Sci. , vol.35 , pp. 288
- Lapujoulade, J.¹ Neil, K.²

43
- 36749119322
- K. Christmann, O. Schober, G. Ertl and H. Neumann, J. Chem. Phys. 60, 4528 (1974).
- (1974) J. Chem. Phys. , vol.60 , pp. 4528
- Christmann, K.¹ Schober, O.² Ertl, G.³ Neumann, H.⁴

44
- 0000658880
- S. Andersson, Chem. Phys. Lett. 55, 185 (1978).
- (1978) Chem. Phys. Lett. , vol.55 , pp. 185
- Andersson, S.¹

45
- 0000348839
- S. M. George, A. M. DeSantolo and R. B. Hall, Surf. Sci. 159, L425 (1985).
- (1985) Surf. Sci. , vol.159 , pp. L425
- George, S.¹ DeSantolo, A.² Hall, R.³

46
- 3542998583
- I. Stensgaard and F. Jakobsen, Phys. Rev. Lett. 54, 711 (1985).
- (1985) Phys. Rev. Lett. , vol.54 , pp. 711
- Stensgaard, I.¹ Jakobsen, F.²

47
- 0013009002
- P.-A. Karlson, A.-S. Mårtensson, S. Andersson and P. Nordlander, Surf. Sci. 175, L759 (1986).
- (1986) Surf. Sci. , vol.175 , pp. L759
- Andersson, S.¹ Nordlander, P.²

48
- 0242314577
- D. R. Mullins, B. Roop, S. A. Costello and J. M. White, Surf. Sci. 186, 67 (1987).
- (1987) Surf. Sci. , vol.186 , pp. 67
- Mullins, D.¹ Roop, B.² Costello, S.³ White, J.⁴

49
- 0006406262
- A.-S. Mårtensson, C. Nyberg and S. Andersson, Surf. Sci. 205, 12 (1988).
- (1988) Surf. Sci. , vol.205 , pp. 12
- Nyberg, C.¹ Andersson, S.²

50
- 0343780152
- K. Christmann, R. J. Behm, G. Ertl, M. A. Van Hove and W. H. Weinberg, J. Chem. Phys. 70, 4168 (1979).
- (1979) J. Chem. Phys. , vol.70 , pp. 4168
- Christmann, K.¹ Behm, R.² Ertl, G.³ Van Hove, M.⁴ Weinberg, W.⁵

51
- 0018335391
- W. Ho, N. J. DiNardo and E. W. Plummer, J. Vac. Sci. Technol. 17, 134 (1980).
- (1980) J. Vac. Sci. Technol. , vol.17 , pp. 134
- Ho, W.¹ DiNardo, N.² Plummer, E.³

52
- 0000851575
- R. R. Cavanagh, R. D. Kelley and J. J. Rush, J. Chem. Phys. 77, 1540 (1982).
- (1982) J. Chem. Phys. , vol.77 , pp. 1540
- Cavanagh, R.¹ Kelley, R.² Rush, J.³

53
- 0000203824
- K. Mortensen, F. Besenbacher, I. Stensgaard and J. R. Wampler, Surf. Sci. 205, 433 (1988).
- (1988) Surf. Sci. , vol.205 , pp. 433
- Mortensen, K.¹ Besenbacher, F.² Stensgaard, I.³ Wampler, J.⁴

54
- 0025840946
- G. Gross and K. H. Rieder, Surf. Sci. 241, 33 (1991).
- (1991) Surf. Sci. , vol.241 , pp. 33
- Gross, G.¹ Rieder, K.²

55
- 4243306741
- T. H. Upton and W. A. Goddard, Phys. Rev. Lett. 42, 472 (1979).
- (1979) Phys. Rev. Lett. , vol.42 , pp. 472
- Upton, T.¹ Goddard, W.²

56
- 36449000352
- H. Yang and J. L. Whitten, J. Chem. Phys. 98, 5039 (1993).
- (1993) J. Chem. Phys. , vol.98 , pp. 5039
- Yang, H.¹ Whitten, J.²

57
- 0042917190
- J. Lapujoulade and K. S. Neil, J. Chem. Phys. 57, 3535 (1972).
- (1972) J. Chem. Phys. , vol.57 , pp. 3535
- Lapujoulade, J.¹ Neil, K.²

58
- 0026914573
- D.-h. Lu, T. N. Truong, V. S. Melissas, G. L. Lynch, Y.-P. Liu, B. C. Garrett, R. Steckler, A. D. Isaacson, S. N. Rai, G. C. Hancock, J. G. Lauderdale, T. Joseph and D. G. Truhlar, Comput. Phys. Commun. 71, 235 (1992).
- (1992) Comput. Phys. Commun. , vol.71 , pp. 235
- Truong, T.¹ Melissas, V.² Lynch, G.³ Garrett, B.⁴ Steckler, R.⁵ Isaacson, A.⁶ Rai, S.⁷ Hancock, G.⁸ Lauderdale, J.⁹ Joseph, T.¹⁰ Truhlar, D.¹¹

59
- 2842529972
- R. Steckler, W.-P. Hu, Y.-P. Liu, G. C. Lynch, B. C. Garrett, A. D. Isaacson, D.-h. Lu, V. S. Melissas, T. N. Truong, S. N. Rai, G. C. Hancock, J. G. Lauderdale, T. Joseph and D. G. Truhlar, QCPE Bull. 15, 40 (1995).
- (1995) QCPE Bull. , vol.15 , pp. 40
- Steckler, R.¹ Lynch, G.² Garrett, B.³ Isaacson, A.⁴ Melissas, V.⁵ Truong, T.⁶ Rai, S.⁷ Hancock, G.⁸ Lauderdale, J.⁹ Joseph, T.¹⁰ Truhlar, D.¹¹

60
- 4243897842
- T. R. Mattsson, U. Engberg and G. Wahnström, Phys. Rev. Lett. 71, 2615 (1993).
- (1993) Phys. Rev. Lett. , vol.71 , pp. 2615
- Mattsson, T.¹ Engberg, U.² Wahnström, G.³

61
- 0040478874
- T. R. Mattsson and G. Wahnström, Phys. Rev. B 51, 1885 (1995).
- (1995) Phys. Rev. B , vol.51 , pp. 1885
- Mattsson, T.¹ Wahnström, G.²

62
- 0001153962
- A. Wong, A. Lee and X. D. Zhu, Phys. Rev. B 51, 4418 (1995).
- (1995) Phys. Rev. B , vol.51 , pp. 4418
- Wong, A.¹ Lee, A.² Zhu, X.³

63
- 0000246518
- R. Gomer, Rep. Prog. Phys. 53, 917 (1990).
- (1990) Rep. Prog. Phys. , vol.53 , pp. 917
- Gomer, R.¹

64
- 0001256003
- X. D. Zhu, Mod. Phys. Lett. B 6, 1217 (1992).
- (1992) Mod. Phys. Lett. B , vol.6 , pp. 1217
- Zhu, X.¹

65
- 0000114514
- B. Voigtlan¨der, S. Lehwald and H. Ibach, Surf. Sci. 208, 113 (1989).
- (1989) Surf. Sci. , vol.208 , pp. 113
- Voigtlan¨der, B.¹ Lehwald, S.² Ibach, H.³

66
- 0026414774
- C. D. Roux, H. Bu and J. W. Rabalais, Surf. Sci. 259, 253 (1991).
- (1991) Surf. Sci. , vol.259 , pp. 253
- Roux, C.¹ Bu, H.² Rabalais, J.³

67
- 0026869545
- H. Bu, C. D. Roux and J. W. Rabalais, Surf. Sci. 271, 68 (1992).
- (1992) Surf. Sci. , vol.271 , pp. 68
- Bu, H.¹ Roux, C.² Rabalais, J.³

68
- 2842604356
- J. Lapujoulade and K. S. Neil, J. Chim. Phys. 70, 798 (1973).
- (1973) J. Chim. Phys. , vol.70 , pp. 798
- Lapujoulade, J.¹ Neil, K.²

69
- 0011828271
- D. J. M. Fassaert and A. van der Avoird, Surf. Sci. 55, 291 (1976).
- (1976) Surf. Sci. , vol.55 , pp. 291
- Fassaert, D.¹ van der Avoird, A.²

70
- 24044527822
- D. J. M. Fassaert and A. van der Avoird, Surf. Sci. 55, 313 (1976).
- (1976) Surf. Sci. , vol.55 , pp. 313
- Fassaert, D.¹ van der Avoird, A.²

71
- 0000300929
- T. H. Upton and W. A. Goddard III, CRC Crit. Rev. Solid State Mater. Sci. 10, 261 (1981).
- (1981) CRC Crit. Rev. Solid State Mater. Sci. , vol.10 , pp. 261
- Upton, T.¹ Goddard, W.²

72
- 26744441450
- J. K. Nørskov, Phys. Rev. Lett. 48, 1620 (1982).
- (1982) Phys. Rev. Lett. , vol.48 , pp. 1620
- Nørskov, J.¹

73
- 0002852543
- P. Nordlander, S. Holloway and J. K. Nørskov, Surf. Sci. 136, 59 (1984).
- (1984) Surf. Sci. , vol.136 , pp. 59
- Nordlander, P.¹ Holloway, S.² Nørskov, J.³

74
- 0001408572
- C.-Y. Lee and A. E. DePristo, J. Chem. Phys. 85, 4161 (1986).
- (1986) J. Chem. Phys. , vol.85 , pp. 4161
- DePristo, A.¹

75
- 0001617158
- I. Panas, J. Schüle, P. Siegbahn and U. Wahlgren, Chem. Phys. Lett. 149, 265 (1988).
- (1988) Chem. Phys. Lett. , vol.149 , pp. 265
- Panas, I.¹ Schüle, J.² Siegbahn, P.³ Wahlgren, U.⁴

76
- 0001617412
- P. Mlynarski and D. R. Salahub, J. Chem. Phys. 95, 6050 (1991).
- (1991) J. Chem. Phys. , vol.95 , pp. 6050
- Mlynarski, P.¹ Salahub, D.²

77
- 0004146063
- Hydrogen in Metals, edited by G. Alefeld and J. Völkl (Springer-Verlag, Berlin, 1978), Vols. I and II.
- (1978) Hydrogen in Metals

78
- 0016346202
- S. W. Stafford and R. B. McLellan, Acta Metall. 22, 1463 (1974).
- (1974) Acta Metall. , vol.22 , pp. 1463
- Stafford, S.¹ McLellan, R.²

79
- 0015604484
- R. B. McLellan and W. A. Oates, Acta Metall. 21, 181 (1973).
- (1973) Acta Metall. , vol.21 , pp. 181
- McLellan, R.¹ Oates, W.²

80
- 0000957846
- A. D. Johnson, K. J. Maynard, S. P. Daley, Q. Y. Yang and S. T. Ceyer, Phys. Rev. Lett. 67, 927 (1991).
- (1991) Phys. Rev. Lett. , vol.67 , pp. 927
- Johnson, A.¹ Maynard, K.² Daley, S.³ Yang, Q.⁴ Ceyer, S.⁵

81
- 0028758893
- H. Yang, J. L. Whitten and R. J. Markanus, Surf. Sci. Rep. 75, 12 (1994).
- (1994) Surf. Sci. Rep. , vol.75 , pp. 12
- Yang, H.¹ Whitten, J.² Markanus, R.³

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