Theoretical studies of the structure and dynamics of metal/hydrogen systems: Diffusion and path integral Monte Carlo investigations of nickel and palladium clusters

Journal of Chemical Physics

Volumn 105, Issue 21, 1996, Pages 9686-9694

  Chen, B ^a   Gomez, M A ^a   Sehl, M ^a   Doll, J D ^a   Freeman, David L ^b  

^a BROWN UNIVERSITY   (United States)

^b University of Rhode Island   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001424898     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472798     Document Type: Article

References (23)

1. J. Völkl and G. Alefeld, Diffusion in Solids: Recent Developments, edited by A. S. Nowick and J. J. Burton (Academic, New York, 1975), Chap. 5.
2. S. W. Rick, D. L. Lynch, and J. D. Doll, J. Chem. Phys. 99, 8183 (1993).
3. D. L. Lynch, S. W. Rick, M. A. Gomez, B. W. Spath, J. D. Doll, and L. R. Pratt, J. Chem. Phys. 97, 5177 (1992).
4. K. J. Maynard, A. D. Johnson, S. P. Daley, and S. T. Ceyer, Faraday Discuss. Chem. Soc. 91, 437 (1991).
5. S. W. Rick, and J. D. Doll, Surf. Sci. Lett. 302, L305 (1994).
6. M. S. Daw, and M. I. Baskes, Phys. Rev. B. 29, 6443 (1984).
7. S. E. Wonchoba and D. G. Truhlar, Phys. Rev. B 53, 11222 (1996).
8. B. M. Rice, B. C. Garrett, M. L. Koszykowski, S. M. Foiles, and M. S. Daw, J. Chem. Phys. 92, 775 (1990).
9. E. Clementi and C. Roetti, Atomic Data and Nuclear Data Tables (Academic, New York, 1974), Vol. 14, Nos. 3 and 4.
10. D. G. Vlachos, L. D. Schmidt, and R. Aris, J. Chem. Phys. 96, 6880 (1992).
11. M. S. Stave and A. E. DePristo, J. Chem. Phys. 97, 3386 (1992).
12. L. Lian, C.-X. Su, and P. B. Armentrout, J. Chem. Phys. 96, 7542 (1992).
13. E. K. Parks, L. Zhu, J. Ho, and S. J. Riley, J. Chem. Phys. 100, 7206 (1994).
14. S. M. Foiles, Surf. Sci. 191, L779 (1987);
15. S. M. Foiles, M. I. Baskes, and M. S. Daw, Phys. Rev. B 33, 7983 (1986).
16. A. Sachdev and R. I. Masel, J. Mater. Res. 8, 455 (1993).
17. J. M. Pénisson and A. Renou, J. Cryst. Growth 102, 585 (1990).
18. W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipies in FORTRAN. The Art of Scientific Computing, 2nd ed. (Cambridge University Press, Cambridge, 1992).
19. Hydrogen in Metals I & II, edited by G. Alefeld and J. Völkl (Springer, Berlin, 1978).
20. D. Ceperley and B. Alder, Science 231, 555 (1986).
21. P. J. Reynolds, D. M. Ceperley, B. J. Alder, and W. A. Lester, Jr., J. Chem. Phys. 77, 5593 (1982).
22. J. D. Doll, D. L. Freeman, and T. L. Beck, Adv. Chem. Phys. 78, 61 (1990)
23. D. D. Frantz, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 93, 2769 (1990).