Effective numerical method for theoretical studies of small atomic clusters

Computational Materials Science

Volumn 35, Issue 3, 2006, Pages 359-365

  Gervais, B ^a   Giglio, E ^a   Ipatov, A ^a,b   Douady, J ^a  

^a UNIVERSITÉ DE CAEN   (France)

^b PETER THE GREAT ST PETERSBURG POLYTECHNIC UNIVERSITY   (Russian Federation)

Author keywords

3D TDDFT; Grid mapping; Harmonic expansion; Local density approximation; Molecular dynamics; Spectral methods; Time splitting

Indexed keywords

APPROXIMATION THEORY; CONVERGENCE OF NUMERICAL METHODS; ELECTRON EMISSION; HARMONIC ANALYSIS; KINETIC ENERGY; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION;

3D TDDFT; GRID MAPPING; HARMONIC EXPANSION; LOCAL DENSITY APPROXIMATION (LDA); SPECTRAL METHODS; TIME SPLITTING;

MATERIALS SCIENCE;

EID: 28444466890     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.07.015     Document Type: Conference Paper

References (33)

1. W.A. de Heer Rev. Mod. Phys. 65 1993 611
2. M. Brack Rev. Mod. Phys. 65 1993 677
3. H. Haberland Clusters of Atoms and Molecules Springer Series in Chemical Physics vol. 52 1994 Springer Berlin, Heidelberg, New York
4. U. Kreibig, and M. Vollmer Optical Properties of Metal Clusters 1995 Springer-Verlag Berlin, Heidelberg
5. W. Ekardt Metal Clusters 1999 Wiley New York
6. V.K. Ivanov, and A.N. Ipatov J.P. Connerade Correlations in Clusters and Related Systems 1996 World Scientific Singapore
7. F. Calvayrac, P.-G. Reinhard, E. Suraud, and C.A. Ullrich Phys. Rep. 337 2000 493
8. F. Calvayrac, P.-G. Reinhard, and E. Suraud Ann. Phys. (NY) 255 1997 125
9. K. Yabana, and G.F. Bertsch Phys. Rev. B 54 1996 4484
10. G.F. Bertsch, and R.A. Broglia Oscillations in Finite Quantum Systems 1994 Cambridge University Press Cambridge
11. R. Schlipper, R. Kusche, B.V. Issendorff, and H. Haberland Phys. Rev. Lett. 80 1998 1194
12. R. Schlipper, R. Kusche, B.V. Issendorff, and H. Haberland Appl. Phys. A 72 2001 255
13. T. Ditmire Phys. Rev. Lett. 78 1997 2732
14. F. Catara, Ph. Chomaz, and N. Van Giai Phys. Rev. B 48 1993 18207
15. K. Hagino Phys. Rev. B 60 1999 R2197
16. G.B. Bertsch, N. Van Giai, and N. Vinh Mau Phys. Rev. A 61 2000 33202
17. L. Gerchikov, C. Guet, and A. Ipatov Phys. Rev. A 66 2003 53202
18. L. Gerchikov, and A. Ipatov J. Phys. B 36 2003 1193
19. C. Kohl, E. Suraud, and P.-G. Reinhard Eur. Phys. J. D 11 2000 115
20. C. Legrand, E. Suraud, and P.-G. Reinhard J. Phys. B. 35 2002 1115
21. G. Yao, and S.I. Chu Chem. Phys. Lett. 197 1992 413
22. J. Wang, and S.I. Chu Chem. Phys. Lett. 227 1994 663
23. X.M. Tong, and S.-I. Chu Phys. Rev. A 57 1998 452
24. X. Chu, and S.-I. Chu Phys. Rev. A 63 2001 23411
25. G. Lauritsch, and P.-G. Reinhard Int. J. Mod. Phys. C 5 1994 65
26. S. Goedecker, M. Teter, and J. Hutter Phys. Rev. B 54 1998 1703
27. D. Gottlieb, and S.A. Orszag Numerical Analysis of Spectral Methods: Theory and Applications 1977 SIAM Publications Philadelphia
28. R.M. Dreizler, and E.U.K. Gross Density Functional Theory: An Approach to the Quantum Many-body Problem 1990 Springer Berlin
29. J. Wang, S.-I. Chu, and C. Laughlin Phys. Rev. A 50 1994 3208
30. W. Kohn, and L.J. Sham Phys. Rev. 140 1965 1133
31. D. Gottlieb, M. Yousuff, and S.A. Orszag R. Voigt D. Gottlieb M.Y. Hussaini Spectral Methods for Spatial Differential Equations 1984 SIAM Philadelphia
32. D. Frenkel, and B. Smit Understanding Molecular Simulation 1996 Academic Press London
33. V. Blum, G. Lauritsch, J.A. Maruhn, and P.-G. Reinhard J. Comp. Phys. 100 2001 364