Molecular dynamics simulations of a silver atom in water: Evidence for a dipolar excitonic state

Physical Review Letters

Volumn 91, Issue 20, 2003, Pages

  Spezia, Riccardo ^a   Nicolas, Cédric ^a   Boutin, Anne ^a   Vuilleumier, Rodolphe ^b  

^a UNIVERSITÉ PARIS SUD   (France)

^b UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPUTER SIMULATION; ELECTRONS; MIXING; QUANTUM THEORY; SILVER; WATER;

DIPOLAR EXCITONIC STATE; SILVER ATOM; SOLVATION;

MOLECULAR DYNAMICS;

EID: 0347477228     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.91.208304     Document Type: Article

References (24)

1. M. Mostafavi, M. Lin, G. Wu, Y. Katsumura, and Y. Muroya, J. Phys. Chem. A 106, 3123 (2002).
2. J. Belloni, M. Mostafavi, and J. Amblard, Ultrafast Reaction Dynamics and Solvent Effects, edited by P.J. Rossky and Y. Gauduel (American Institute of Physics, Woodbury, New York, 1994).
3. M. Sprik, R.W. Impey, and M.L. Klein, Phys. Rev. Lett. 56, 2326 (1986).10.1103/PhysRevLett.56.2326
4. H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, and J. Hermans, in Interaction Models for Water in Relation to Protein Hydratation (Reidel, Dordrecht, 1981).
5. L. Turi and D. Borgis, J. Chem. Phys.JCPSA6 117, 6186 (2002).
6. C. Nicolas, A. Boutin, B. Lévy, and D. Borgis, J. Chem. Phys.JCPSA6 118, 9689 (2003).
7. N.T. Skipper and G.W. Neilson, J. Phys. Condens. Matter 1, 4141 (1989).
8. A. Tongraar, K.R. Liedl, and B.M. Rode, J. Phys. Chem. A 102, 10?340 (1998).
9. V. Dubois, P. Archirel, and A. Boutin, J. Phys. Chem. B 105, 9363 (2001).
10. M. Wilson, P.A. Madden, and B.J. Costa-Cabral, J. Phys. Chem. 100, 1227 (1996).
11. R. Spezia, C. Nicolas, P. Archirel, and A. Boutin (to be published).
12. G. Tarjus and S. Bratos, Phys. Rev. A 30, 1087 (1984).10.1103/PhysRevA.30.1087
13. A. Staib and D. Borgis, J. Chem. Phys.JCPSA6 103, 2642 (1995).
14. J. Hutter, A. Alavi, T. Deutsch, M. Bernasconi, S. Goedecker, D. Marx, M. Tuckerman, and M. Parrinello, CPMD version�3.5 (2000), copyright: MPI Solid State Research Institute in Stuttgart and the IBM Research Laboratory, Zurich.
15. A. Becke, Phys. Rev. A 38, 3098 (1988).10.1103/PhysRevA.38.3098
16. C. Lee, W. Yang, and R. Parr, Phys. Rev. B 37, 785 (1988).10.1103/PhysRevB.37.785
17. P. Silvestrelli and M. Parrinello, J. Chem. Phys.JCPSA6 111, 3572 (1999).10.1063/1.479638
18. M. Sprik, J. Hutter, and M. Parrinello, J. Chem. Phys.JCPSA6 105, 1142 (1996).10.1063/1.471957
19. R. Vuilleumier and M. Sprik, J. Chem. Phys.JCPSA6 115, 3454 (2001).
20. N. Marzari and D. Vanderbilt, Phys. Rev. B 56, 12?847 (1997).10.1103/PhysRevB.56.12847
21. S. Silvestrelli, N. Marzari, D. Vanderbilt, and M. Parrinello, Solid State Commun.SSCOA4 107, 7 (1998).10.1016/S0038-1098(98)00175-6
22. D.E. Logan, Phys. Rev. Lett. 57, 782 (1986).10.1103/PhysRevLett.57.782
23. H. Frölich, Theory of Dielectrics (Oxford University Press, Oxford, 1958).
24. M.D. Winn and D.E. Logan, J. Phys. Condens. Matter 5, 3103 (1993).