Molecular dynamics in shape space and femtosecond vibrational spectroscopy of metal clusters

Journal of Physical Chemistry A

Volumn 102, Issue 15, 1998, Pages 2505-2508

  Yannouleas, Constantine ^a   Landman, Uzi ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001758672     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp980407e     Document Type: Article

References (32)

1. Lamb, H. Hydrodynamics; Cambridge University Press: New York, 1945; p 719.
2. Bohr Å. Mottelson, B. R. Nuclear Structure; Benjamin: Reading, MA, 1975; Vol. II.
3. Owing to the generalized shapes associated with the fission process, Werner and Wheeler developed a special numerical method for calculating the inertia parameters of an incompressible, irrotational nuclear flow with axial symmetry (see: Davies, K. T. R.; Sierk, A. J.; Nix, J. R. Phys. Rev. C 1976, 13, 2385).
4. Rayleigh, J. W. S. Theory of Sound; MacMillan: London, 1877.
5. Yannouleas, C.; Landman, U. Phys. Rev. B 1993, 48, 8376; Chem. Phys. Lett. 1993, 210, 437.
6. Yannouleas, C.; Landman, U. Phys. Rev. B 1993, 48, 8376; Chem. Phys. Lett. 1993, 210, 437.
7. Yannouleas, C.; Landman, U. Phys. Rev. B 1995, 51, 1902.
8. Yannouleas, C.; Landman, U. In Large Clusters of Atoms and Molecules; Martin, T. P., Ed.; Kluwer: Dordrecht, 1996; p 131.
9. Yannouleas, C.; Landman, U. Phys. Rev. Lett. 1997, 78, 1424.
10. (a) Barnett, R. N.; Landman, U.; Rajagopal, G. Phys. Rev. Lett. 1991, 67, 3058.
11. (b) Barnett, R. N.; Landman, U. Phys. Rev. B 1993, 48, 2081.
12. Röthlisberger, U.; Andreoni, W. J. Chem. Phys. 1991, 94, 8129.
13. 14.
14. Ultrafast Phenomena IX; Barbara, P. F., Knox, W. H., Mourou, G. A., Zewail, A. H., Eds; Springer Series in Chemical Physics 60; Springer: Berlin, 1994. Zewail, A. H. J. Phys. Chem. 1996, 100, 12701.
15. Ultrafast Phenomena IX; Barbara, P. F., Knox, W. H., Mourou, G. A., Zewail, A. H., Eds; Springer Series in Chemical Physics 60; Springer: Berlin, 1994. Zewail, A. H. J. Phys. Chem. 1996, 100, 12701.
16. Wolf, S.; Sommerer, G.; Rutz, S.; Schreiber, E.; Leisner, T.; Wöste, L. Phys. Rev. Lett. 1995, 74, 4177.
17. Nosé, S. J. Chem. Phys. 1984, 81, 511. Hoover, W. G. Phys. Rev. A 1985, 31, 1695.
18. Nosé, S. J. Chem. Phys. 1984, 81, 511. Hoover, W. G. Phys. Rev. A 1985, 31, 1695.
19. Martyna, G. J.; Klein, M. L.; Tuckerman, M. J. Chem. Phys. 1992, 97, 2635.
20. c) coefficients, which are chosen to coincide with the calculations (for details, see ref 6).
21. Alameddin, G.; Hunter, J.; Cameron, D.; Kappes, M. M. Chem. Phys. Lett. 1992, 192, 122.
22. Taylor, K. J.; Pettiette-Hall, C. L.; Cheshnovsky, O.; Smalley, R. E. J. Chem. Phys. 1992, 96, 3319.
23. To simulate energy exchange between the dynamical collective shape variables and the other degrees of freedom of the cluster, one can include frictional terms in the equations of motion. This would result in damping of the collective shape dynamics; for the short trajectories used here, such effects are not expected to have a significant influence.
24. -6 eV.
25. Herzberg, G. Spectra of Diatomic Molecules; D. Van Nostrand Co.: New York, 1950; p 194.
26. v(a,b) by solving the nonlinear Bohr-Mottelson Hamiltonian (see: Kumar, K.; Baranger, M. Nucl. Phys. A 1967, 92, 608). Work along this line for the NeNePo of the silver trimer is in progress.
27. The experiments in ref 13 used photons of 3.1 eV for electron detachment and (double) photons of 5.9-6.36 eV for ionization, while the plasmon energy in small silver clusters is about 4.0 eV and decreases almost linearly to about 3.5 eV (which is the bulk Mie value) for larger ones (see: Liebsch, A. Electronic Excitations at Metal Surfaces; Plenum: New York, 1997; Figure 3.56; p 138). Similarly in our study, the required electron-detachment energy is about 2.2 eV and the ionization potentials are also away from the plasmon energy (i.e., 5.7-6.0 eV, see Figure 2).
28. Yannouleas, C.; Landman, U. J. Phys. Chem. 1995, 99, 14577. Yannouleas, C.; Barnett, R. N.; Landman, U. Comments At. Mol. Phys. 1995, 31, 445.
29. Yannouleas, C.; Landman, U. J. Phys. Chem. 1995, 99, 14577. Yannouleas, C.; Barnett, R. N.; Landman, U. Comments At. Mol. Phys. 1995, 31, 445.
30. Bréchignac, C.; Cahuzac, P.; Carlier, F.; de Frutos, M.; Barnett, R. N.; Landman, U. Phys. Rev. Lett. 1994, 72, 1636.
31. 24 in the context of fission processes, the energetically favored fission products correspond to integer numbers of atoms (see Figure 2 in: Mustafa, M. G.; Mosel, U.; Schmitt, H. W. Phys. Rev. C 1973, 7, 1519 and ref 24).
32. Carjan, N.; Wada, T.; Abe, Y. In AIP Conf. Proc. 1991, 250, 230.