He-atom scattering from MgO(100): Calculating diffraction peak intensities with a semi ab initio potential

Physical Chemistry Chemical Physics

Volumn 13, Issue 32, 2011, Pages 14750-14757

  Martinez Casado, R ^a   Mallia, G ^a   Usvyat, D ^b   Maschio, L ^c   Casassa, S ^c   Schutz M ^b   Harrison, N M ^a,d  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

^b UNIVERSITY OF REGENSBURG   (Germany)

^c UNIVERSITY OF TURIN   (Italy)

^d DARESBURY LABORATORY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 80051704288     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c1cp21212e     Document Type: Article

References (43)

1. F. Traeger ChemPhysChem 2006 7 1006
2. V. E. Henrich and P. A. Cox, The Surface Science of Metal Oxides, Cambridge University Press, Cambridge, 1996
3. B. Johnson R. J. Hinde J. Phys. Chem. A 2011 115 7112
4. H.-J. Freund H. Kuhlenbeck V. Staemmler Rep. Prog. Phys. 1996 59 283
5. G. Brusdeylins R. B. Doak J. G. Skofronick J. P. Toennies Surf. Sci. 1983 128 191
6. M. Mahgerefteh D. R. Jung D. R. Frankl Phys. Rev. B: Condens. Matter Mater. Phys. 1989 39 3900
7. D. Jung M. Mahgerefteh D. R. Frankl Phys. Rev. B: Condens. Matter Mater. Phys. 1989 39 11164
8. P. Cantini E. Cevasco Surf. Sci. 1984 148 37
9. E. Hulpke, Helium Atom Scattering from Surfaces, Springer Series in Surface Science, Springer, Berlin, 1992, vol. 27
10. I. Estermann O. Stern Z. Phys. 1930 61 95
11. G. Brusdeylins R. B. Doak J. P. Toennies Phys. Rev. Lett. 1981 46 437
12. R. Martinez-Casado B. Meyer S. Miret-Artes F. Traeger C. Woell J. Phys.: Condens. Matter 2007 19 305006
13. R. Martinez-Casado B. Meyer S. Miret-Artes F. Traeger C. Woell J. Phys.: Condens. Matter 2010 22 304011
14. R. Martinez-Casado G. Mallia D. Usvyat L. Maschio S. Casassa M. Schütz N. M. Harrison J. Chem. Phys. 2011 134 014706
15. C. Pisani L. Maschio S. Casassa M. Halo M. Schütz D. Usvyat J. Comput. Chem. 2008 29 2113
16. M. Schütz, D. Usvyat, M. Lorenz, C. Pisani, L. Maschio, S. Casassa and M. Halo, in Accurate Condensed-Phase Quantum Chemistry, ed., F. R. Manby, CRC Press, Taylor and Francis, NY, 2010, pp. 29-55
17. A. Sanz S. Miret-Artés Phys. Rep. 2006 451 37
18. M. Hernández O. Roncero S. Miret-Artés P. Villarreal G. Delgado-Barrio J. Chem. Phys. 1989 90 3823
19. S. Miret-Artés J. Toennies G. Witte Phys. Rev. B: Condens. Matter Mater. Phys. 1996 54 5881
20. R. Guantes A. S. Sanz J. Margalef-Roig S. Miret-Artés Surf. Sci. Rep. 2004 53 199
21. R. Blachnik, J. Chu, R. R. Galazka, J. Geurts, J. Gutowski, B. Honerlage, D. Hofmann, J. Kossut, R. Levy, P. Michler, V. Neukirch, D. Strauch, T. Story and A. Waag, II-VI and I-VII Compounds; Semimagnetic Compounds, vol. 41B of Landolt-Brnstein - Group III Condensed Matter, Springer Verlag, 1988
22. J. Scaranto G. Mallia N. Harrison Comput. Mater. Sci. 2011 50 2080
23. R. Dovesi, V. R. Saunders, C. Roetti, R. Orlando, C. M. Zicovich-Wilson, F. Pascale, B. Civalleri, K. Doll, N. M. Harrison and I. J. Bush, et al., CRYSTAL09 User's Manual, Università di Torino, Torino, 2010
24. R. Dovesi R. Orlando B. Civalleri C. Roetti V. R. Saunders C. M. Zicovich-Wilson Z. Kristallogr. 2005 220 571
25. C. Wolken J. Chem. Phys. 1973 3047 58
26. L. Fox, The numerical solution of two-point boundary value problems in ordinary differential equations, Oxford University Press, London, 1957
27. J. L. Beeby J. Phys. C: Solid State Phys. 1971 4
28. J. Cooley Math. Comput. 1961 15 363
29. M. Karini G. Vidali Phys. Rev. B: Condens. Matter Mater. Phys. 1989 39 3854
30. G. Benedek G. Brusdeylins V. Senz J. G. Skofronick J. P. Toennies F. Traeger R. Vollmer Phys. Rev. B: Condens. Matter Mater. Phys. 2001 64 125421
31. J. Cui D. Jung D. Frankl Phys. Rev. B: Condens. Matter Mater. Phys. 1990 42 9701
32. D. Jung J. Cui D. Frankl J. Vac. Sci. Technol., A 1991 9 1589
33. G. Vidali G. Ihm H.-Y. Kim M. Cole Surf. Sci. Rep. 1991 12 135
34. C. Cramer, Essentials of Computational Chemistry, Wiley, 2004
35. F. Jensen, Introduction to Computational Chemistry, Wiley, 2007
36. S. Tosoni J. Sauer Phys. Chem. Chem. Phys. 2010 12 14330
37. A. Heßelmann J. Chem. Phys. 2008 128 144112
38. K. H. Rieder Surf. Sci. 1982 118 57
39. E. Zaremba W. Kohn Phys. Rev. B: Condens. Matter Mater. Phys. 1976 13 2270
40. H. Hoinkes Rev. Mod. Phys. 1980 52 933
41. A. T. Yinnon E. Kolodney A. Amirav R. B. Gerber Chem. Phys. Lett. 1986 123 268
42. Magnetic Oxides and Related Compounds, Vol. V of Landolt-Börnstein- Group III Condensed Matter, Springer Verlag, 1988
43. J. Manson K.-H. Rieder Phys. Rev. B: Condens. Matter Mater. Phys. 2000 62 13142