Simulation of ground state structure of nickel clusters (n ≤ 40)

Solid State Communications

Volumn 100, Issue 2, 1996, Pages 129-131

  Hu, WeiJun ^a   Mei, LiangMo ^a   Li, Hua ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

A. nanostrucrures

Indexed keywords

ALGORITHMS; MONTE CARLO METHODS; NANOSTRUCTURED MATERIALS; NICKEL; QUANTUM THEORY;

FAST RELAXATION ALGORITHM; LENNARD-JONES-LIKE CLUSTER; MAGIC NUMBERS; MORSE SPECIES; NICKEL CLUSTERS; QUANTUM MECHANICAL STUDY;

ELECTRON ENERGY LEVELS;

EID: 0030270740     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/0038-1098(96)00396-1     Document Type: Article

References (20)

1. Blyholder, G., Surf. Sci. 42, 1974, 249.
2. Messmer, R.C., Turcker, C.W. Jr. and Johnson, K.H., Chem. Phys. Lett. 36, 1975, 423.
3. Messmer, R.P., Knudson, S.K., Johnson, K.H., Diamond, J.B., Kaspar, J. and Yang, C.Y., Phys. Rev. B13, 1976, 1396.
4. Walch, S.P., J. Chem. Phys. 86, 1987, 5082.
5. Knickelbein, M.B., Yang, S. and Riley, S.J., J. Chem. Phys. 93, 1990, 94.
6. Parks, E.K., Winters, B.J., Klots, T.D. and Riley, J., J. Chem. Phys. 4, 1991, 1882.
7. Pellarin, M., Baguenard, B., Vialle, J.L., Lerme, J., Broyer, M., Miller, J. and Jerez, Chem. Phys. Lett. 217, 1994, 349.
8. Phillips, J.C., Chem. Rev. 86, 1986, 619.
9. Cleveland, C.L. and Landman, U., J. Chem. Phys. 94, 1991, 7376.
10. Jones, R.O., Density Functional Calculations for Clusters (Edited by M.F. Jarold), Transition metal cluster, Physical properties, p. 52. Springer series in chemical physics, 1995.
11. Wille, L.T. and Vennik, J., J. Phys. A: Math. Gen. 18, 1985, L419.
12. Estela, B.B. and Khanna, S.N., Phys. Rev. Lett. 6, 1988, 1477.
13. Christensen, O.B., Jacobsen, K.W., Nørskov, J.K. and Manninen, M., Phys. Rev. Lett. 66, 1991, 2219.
14. Christensen, O.B. and Cohen, M.L., Phys. Rev. B47, 1993, 13643.
15. Shapiro, M.H., Nucl. Instr. and Meth. B58, 1991, 161.
16. Shapiro, M.H., Haff, P.K., Tombrello, T.A. and Harrison, D.E. Jr., Nucl. Instr. and Meth. B12, 1985, 137.
17. Kasi, S.R., Kilburn, M.A., Kang, H. and Rabalais, J.W., J. Chem. Phys. 88, 1988, 5902.
18. Wang, C.Y. and Yu, T., Science in China A7, 1994, 729.
19. Northby, J.A., J. Chem. Phys. 87, 1987, 6166.
20. In the algorithm, the time integral step is defined as a function of the three variables: the largest acceleration, the largest velocity, and a variable limited largest space step. It is advantageous over the traditional molecular dynamic method and the steepest descent method in the relaxation of random initial atomic configurations of clusters, i.e. it is very fast and not divergent. It is to be published.