Electronic structure of H adsorbed on Pt13 clusters

Journal of Chemical Physics

Volumn 106, Issue 18, 1997, Pages 7531-7540

  Watari, Noriko ^a   Ohnishi, Shuhei ^a  

^a NEC CORPORATION   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; ELECTRONIC STRUCTURE; QUANTUM CHEMISTRY; SHELLS (STRUCTURES); X RAY ABSORPTION; X RAY ABSORPTION NEAR EDGE STRUCTURE SPECTROSCOPY;

ATOMIC ORBITAL; EQUILIBRIUM DISTANCES; FIRST-PRINCIPLES CALCULATION; HYDROGEN ATOMS; LINEAR COMBINATIONS; LOCAL DENSITY FUNCTIONAL; PSEUDOPOTENTIALS; SHELL STRUCTURE;

PLATINUM;

EID: 1542554535     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473751     Document Type: Article

References (40)

1. W. D. Knight, K. Clemenger, W. A. de Heer, W. A. Saunders, M. Y. Chou, and M. L. Cohen, Phys. Rev. Lett. 52, 2141 (1984).
2. D. R. Salahub and R. P. Messmer, Phys. Rev. B 16, 2526 (1977).
3. J. Koutecky, O. Pacchioni, G. H. Jeung, and E. C. Hass, Surf. Sci. 156, 650 (1985).
4. M. E. McHenry, M. E. Eberhart, R. C. O'Handley, and K. H. Johnson, Phys. Rev. Lett. 56, 81 (1986).
5. T. H. Upton, Phys. Rev. Lett. 56, 2168 (1986); J. Chem. Phys. 86, 7054 (1987).
6. T. H. Upton, Phys. Rev. Lett. 56, 2168 (1986); J. Chem. Phys. 86, 7054 (1987).
7. L. G. M. Petterson, C. W. Bauschlicher, Jr., and T. Halicioglu, J. Chem. Phys. 87, 2205 (1987).
8. R-P. Cheng, R. S. Berry, and R. L. Whetten, Phys. Rev. B 43, 10 647 (1991).
9. R. O. Jones, Phys. Rev. Lett. 67, 224 (1991).
10. N. Watari and S. Ohnishi, submitted to Phys. Rev. B.
11. K. Christmann, Surf. Sci. Reports 9, 1 (1988).
12. A. C. Switendick, in Hydrogen in Metals I, edited by G. Alefeld and J. Völkl [Top. Appl. Phys. 28, 101 (1979)].
13. D. A. Papaconstantopoulos and A. C. Switendick, Phys. Rev. B 32, 1289 (1985).
14. K. G. Dyall, J. Chem. Phys. 98, 9678 (1993).
15. L. Visscher, T. Saue, W. C. Nieuwpoort, K. Faegri, and O. Gropen, J. Chem. Phys. 99, 6704 (1993).
16. S. Tobisch and G. Rasch, Chem. Phys. Lett. 166, 311 (1990).
17. K. Balasubramanian and P. Y. Feng, J. Chem. Phys. 92, 541 (1990).
18. C. M. Rholfing, P. J. Hay, and R. L. Martin, J. Chem. Phys. 85, 1447 (1986).
19. D. E. Ellis, J. Guo, and H.-P. Cheng, Adv. Quantum Chem. 22, 125 (1991).
20. O. Gunnarsson, H. Jelmberg, and B. I. Lundqvist, Phys. Rev. Lett. 37, 292 (1976).
21. G. B. Bachelet, D. R. Hamann, and M. Schluter, Phys. Rev. B 26, 4199 (1982).
22. S. Ohnishi and N. Watari, Phys. Rev. B 49, 14 619 (1994).
23. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1984).
24. A. D. Becke, J. Chem. Phys. 88, 2547 (1988).
25. N. Watari and S. Ohnishi, Catal. Today 23, 371 (1995).
26. A. Gölzhäuser and G. Ehrich, Phys. Rev. Lett. 77, 1334 (1996).
27. B. I. Dunlap, in Modern Density Functional Theory: A Tool for Chemistry, Theoretical and Computational Chemistry, edited by J. M. Seminario and P. Politzer, 1995, Vol. 2, p. 151; B. I. Dunlap, Phys. Rev. A 41, 5691 (1990); B. V. Reddy, S. N. Khanna, and B. I. Dunlap, Phys. Rev. Lett. 70, 3323 (1993).
28. B. I. Dunlap, in Modern Density Functional Theory: A Tool for Chemistry, Theoretical and Computational Chemistry, edited by J. M. Seminario and P. Politzer, 1995, Vol. 2, p. 151; B. I. Dunlap, Phys. Rev. A 41, 5691 (1990); B. V. Reddy, S. N. Khanna, and B. I. Dunlap, Phys. Rev. Lett. 70, 3323 (1993).
29. B. I. Dunlap, in Modern Density Functional Theory: A Tool for Chemistry, Theoretical and Computational Chemistry, edited by J. M. Seminario and P. Politzer, 1995, Vol. 2, p. 151; B. I. Dunlap, Phys. Rev. A 41, 5691 (1990); B. V. Reddy, S. N. Khanna, and B. I. Dunlap, Phys. Rev. Lett. 70, 3323 (1993).
30. P. J. Feibelman and D. R. Hamann, Surf. Sci. 182, 411 (1987).
31. T. D. Klots, B. J. Winter, E. K. Parks, and S. J. Riley, J. Chem. Phys. 92, 2110 (1990); 95, 8919 (1991); E. K. Parks, B. J. Winter, T. D. Klots, and S. J. Riley, ibid. 96, 8267 (1992); E. K. Parks and S. J. Riley, ibid. 99, 5898 (1993).
32. T. D. Klots, B. J. Winter, E. K. Parks, and S. J. Riley, J. Chem. Phys. 92, 2110 (1990); 95, 8919 (1991); E. K. Parks, B. J. Winter, T. D. Klots, and S. J. Riley, ibid. 96, 8267 (1992); E. K. Parks and S. J. Riley, ibid. 99, 5898 (1993).
33. T. D. Klots, B. J. Winter, E. K. Parks, and S. J. Riley, J. Chem. Phys. 92, 2110 (1990); 95, 8919 (1991); E. K. Parks, B. J. Winter, T. D. Klots, and S. J. Riley, ibid. 96, 8267 (1992); E. K. Parks and S. J. Riley, ibid. 99, 5898 (1993).
34. T. D. Klots, B. J. Winter, E. K. Parks, and S. J. Riley, J. Chem. Phys. 92, 2110 (1990); 95, 8919 (1991); E. K. Parks, B. J. Winter, T. D. Klots, and S. J. Riley, ibid. 96, 8267 (1992); E. K. Parks and S. J. Riley, ibid. 99, 5898 (1993).
35. K. Asakura, T. Kubota, N. Ichikuni, and Y. Iwasawa, 11th International Congress on Catalysis - 40th Anniversary Studies in Surface Science and Catalysis 101, 911 (1996).
36. T. Kubota, K. Asakura, N. Ichikuni, and Y. Iwasawa, Chem. Phys. Lett. 256, 445 (1996).
37. Y. Ishii (unpublished); also see Y. Ishii, S. Ohnishi, and S. Sugano, Phys. Rev. B 33, 5271 (1986).
38. Y. Ishii (unpublished); also see Y. Ishii, S. Ohnishi, and S. Sugano, Phys. Rev. B 33, 5271 (1986).
39. S. G. Louie, Phys. Rev. Lett. 42, 476 (1979).
40. P. J. Feibelman, D. R. Hamann, and F. J. Himpsel, Phys. Rev. B 22, 1734 (1980).