An accurate model potential for alkali neon systems

Journal of Chemical Physics

Volumn 131, Issue 21, 2009, Pages

  Zanuttini, D ^a   Jacquet, E ^a   Giglio, E ^a   Douady, J ^a   Gervais, B ^a  

^a UNIVERSITÉ DE CAEN   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO COMPUTATIONS; BASIS SETS; CCSD CALCULATIONS; CORE POLARIZATION; EXPERIMENTAL DATA; KEY PARAMETERS; MODEL POTENTIAL; ONE-ELECTRON SYSTEMS; POTENTIAL ENERGY CURVES; PSEUDOPOTENTIALS; VALENCE ELECTRON; VAN DER WAALS DIMER; VIBRATIONAL ANALYSIS; VIBRATIONAL LEVELS;

AUTOMOBILE EXHIBITIONS; DIMERS; NEON; REACTION KINETICS; SODIUM; VAN DER WAALS FORCES;

POTENTIAL ENERGY;

EID: 72049099638     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3269801     Document Type: Article

References (44)

1. W. Müller, J. Flesch, and W. Meyer, J. Chem. Phys. 0021-9606 80, 3297 (1984). 10.1063/1.447083
2. W. E. Baylis, J. Chem. Phys. 0021-9606 51, 2665 (1969). 10.1063/1.1672393
3. J. Pascale and J. Vandeplanque, J. Chem. Phys. 0021-9606 60, 2278 (1974). 10.1063/1.1681360
4. R. Düren, E. Hasselbrink, and G. Moritz, Z. Phys. A 0340-2193 307, 1 (1982). 10.1007/BF01416066
5. E. Czuchaj, F. Rebentrost, H. Stoll, and H. Preuss, Chem. Phys. 0301-0104 136, 79 (1989). 10.1016/0301-0104(89)80130-2
6. E. Czuchaj, H. Stoll, and H. Preuss, J. Phys. B 0953-4075 20, 1487 (1987). 10.1088/0022-3700/20/7/017
7. P. Valiron, R. Gayet, R. McCaroll, F. Masnou-Seeuws, and M. Philippe, J. Phys. B 0953-4075 12, 53 (1979). 10.1088/0022-3700/12/1/014
8. G. Peach, J. Phys. B 0953-4075 11, 2107 (1978). 10.1088/0022-3700/11/12/ 012
9. D. Hennecart and F. Masnou-Seeuws, J. Phys. B 0953-4075 18, 657 (1985). 10.1088/0022-3700/18/4/013
10. M. B. El Hadj Rhouma, H. Berriche, Z. Ben Lakhdar, and F. Spiegelmann, J. Chem. Phys. 0021-9606 116, 1839 (2002). 10.1063/1.1429247 (Pubitemid 34162241)
11. M. Ben El Hadj Rhouma, Z. Ben Lakhdar, H. Berriche, and F. Spiegelmann, J. Chem. Phys. 0021-9606 125, 084315 (2006). 10.1063/1.2229210 (Pubitemid 44320058)
12. M. Groß and F. Spiegelmann, J. Chem. Phys. 0021-9606 108, 4148 (1998). 10.1063/1.475813
13. C. Tsoo, D. A. Estrin, and S. J. Singer, J. Chem. Phys. 0021-9606 93, 7187 (1990). 10.1063/1.459442
14. J. Douady, E. Jacquet, E. Giglio, D. Zanuttini, and B. Gervais, J. Chem. Phys. 0021-9606 129, 184303 (2008). 10.1063/1.3005381
15. B. Gervais, E. Giglio, E. Jacquet, A. Ipatov, P. -G. Reinhard, and E. Suraud, J. Chem. Phys. 0021-9606 121, 8466 (2004). 10.1063/1.1789473
16. V. A. Apkarian and N. Schwentner, Chem. Rev. (Washington, D.C.) 0009-2665 99, 1481 (1999). 10.1021/cr9404609
17. J. Douady, E. Jacquet, E. Giglio, D. Zanuttini, and B. Gervais, Chem. Phys. Lett. 0009-2614 476, 163 (2009). 10.1016/j.cplett.2009.06.032
18. H. P. Saha, Phys. Rev. Lett. 0031-9007 65, 2003 (1990) 10.1103/PhysRevLett.65.2003;
19. H. P. Saha, Phys. Rev. A 1050-2947 39, 5048 (1989) 10.1103/PhysRevA.39. 5048;
20. H. P. Saha, Phys. Rev. A 1050-2947 40, 6111 (1989). 10.1103/PhysRevA.40. 6111
21. C. Bottcher and A. Dalgarno, Proc. R. Soc. London, Ser. A 0950-1207 340, 187 (1974). 10.1098/rspa.1974.0147
22. C. J. Kleinman, Y. Hahn, and L. Spruch, Phys. Rev. 0096-8250 165, 53 (1968). 10.1103/PhysRev.165.53
23. A. Dalgarno, G. W. F. Drake, and G. A. Victor, Phys. Rev. 0096-8250 176, 194 (1968). 10.1103/PhysRev.176.194
24. P. Soldan, E. P. F. Lee, and T. Wright, Mol. Phys. 0026-8976 97, 139 (1999). 10.1080/00268979909482816
25. G. Karlström, R. Lindh, P. -Å. Malmqvist, B. O. Roos, U. Ryde, V. Veryazov, P. -O. Widmark, M. Cossi, B. Schimmelpfennig, P. Neogrady, and L. Seijo, Comput. Mater. Sci. 0927-0256 28, 222 (2003). 10.1016/S0927-0256(03) 00109-5
26. B. O. Roos, R. Lindh, P. -A. Malmqvist, V. Veryazov, and P. -O. Widmark, J. Phys. Chem. A 1089-5639 108, 2851 (2004). 10.1021/jp031064+
27. B. O. Roos, V. Veryazov, and P. -O. Widmark, Theor. Chem. Acc. 1432-881X 111, 345 (2003);
28. B. O. Roos, V. Veryazov, and P. -O. Widmark, Theor. Chem. Acc. 1432-881X 111, 356 (2003).
29. S. F. Boys and F. Bernardi, Mol. Phys. 0026-8976 19, 553 (1970). 10.1080/00268977000101561
30. P. W. Langhoff and M. Karplus, J. Chem. Phys. 0021-9606 53, 233 (1970). 10.1063/1.1673771
31. R. Ahlrichs, H. J. Böhm, S. Brode, K. H. Tang, and J. P. Toennies, J. Chem. Phys. 0021-9606 88, 6290 (1988). 10.1063/1.454467
32. I. Roeggen and H. R. Skullerud, J. Phys. B 0953-4075 25, 1795 (1992). 10.1088/0953-4075/25/8/014
33. G. Reza Ahmadi, J. Almlöfa, and I. Roeggen, Chem. Phys. 0301-0104 199, 33 (1995). 10.1016/0301-0104(95)00206-4
34. L. A. Viehland, P. Soldán, E. P. F. Lee, and T. G. Wright, J. Chem. Phys. 0021-9606 105, 1983 (2001).
35. M. B. Doran, J. Phys. B 0953-4075 7, 558 (1974). 10.1088/0022-3700/7/5/ 006
36. P. Dehmer and L. Wharton, J. Chem. Phys. 0021-9606 57, 4821 (1972). 10.1063/1.1678154
37. S. K. Kerkines and A. Mavridis, J. Phys. Chem. A 1089-5639 121, 341 (2004).
38. C. J. Lee and M. D. Havey, Phys. Rev. A 1050-2947 43, 6066 (1991). 10.1103/PhysRevA.43.6066
39. J. Grosser, O. Hoffmann, and F. Rebentrost, J. Phys. B 0953-4075 33, L577 (2000). 10.1088/0953-4075/33/16/103 (Pubitemid 30930500)
40. J. Ahokas, T. Kiljunen, J. Eloranta, and H. Kunttu, J. Chem. Phys. 0021-9606 112, 2420 (2000). 10.1063/1.480825
41. W. P. Lapatovich, R. Ahmad-Bitar, P. E. Moskowitz, I. Renhorn, R. A. Gottscho, and D. E. Pritchard, J. Chem. Phys. 0021-9606 73, 5419 (1980). 10.1063/1.440087
42. R. A. Gottscho, R. Ahmad-Bitar, W. P. Lapatovich, I. Renhorn, and D. E. Pritchard, J. Chem. Phys. 0021-9606 75, 2546 (1981). 10.1063/1.442432
43. R. Düren, E. Hasselbrink, and H. Tischer, J. Chem. Phys. 0021-9606 77, 3286 (1982). 10.1063/1.444207
44. D. Maynau and J. P. Daudey, Chem. Phys. Lett. 0009-2614 81, 273 (1981). 10.1016/0009-2614(81)80251-5