A theoretical investigation on the spectrum of the Ar trimer for high rotational excitations

Journal of Chemical Physics

Volumn 130, Issue 15, 2009, Pages

  Marquez Mijares M ^a,b   Prez De Tudela R ^a   Gonzalez Lezana T ^a   Roncero, O ^a   Miret Arts S ^a   Delgado Barrio, G ^a   Villarreal, P ^a   Baccarelli, I ^c   Gianturco, F A ^d   Rubayo Soneira, J ^b  

^a INSTITUTO DE FÍSICA FUNDAMENTAL   (Spain)

^b Instituto Superior de Tecnologias y Ciencias Aplicadas InSTEC   (Cuba)

^c CASPUR   (Italy)

^d SAPIENZA UNIVERSITY OF ROME   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BOUND STATE; ENERGY LEVELS; GAUSSIAN FUNCTIONS; HYPERSPHERICAL COORDINATES; INTER-PARTICLE DISTANCES; PROBABILITY FUNCTIONS; ROTATIONAL CONSTANTS; ROTATIONAL EXCITATIONS; ROVIBRATIONAL SPECTRUM; ROVIBRATIONAL STATE; THEORETICAL INVESTIGATIONS; VARIATIONAL APPROACHES; VIBRATIONAL STATE;

ROTATION;

EID: 65349126956     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3115100     Document Type: Article

References (66)

1. See, for example, early reviews of G. D. Carney, L. L. Sprandel, and C. W. Kern, Adv. Chem. Phys. ADCPAA 0065-2385 10.1002/9780470142561.ch6 37, 305 (1978); S. Carter and N. C. Handy, Comput. Phys. Rep. CPHREF 0167-7977 10.1016/0167-7977(86)90006-7 5, 115 (1986); J. Tennyson, Comput. Phys. Rep. CPHREF 0167-7977 10.1016/0167-7977(86)90005-5 4, 1 (1986); Z. Bacić and J. C. Light, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 40, 469 (1989). 10.1146/annurev.pc.40.100189.002345
2. E. B. Wilson and J. B. Horward, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1749833 4, 260 (1936).
3. E. B. Wilson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1749846 4, 313 (1936).
4. E. B. Wilson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1750087 5, 617 (1937).
5. W. H. Shaffer and H. H. Nielsen, Phys. Rev. PHRVAO 0031-899X 56, 188 (1939). 10.1103/PhysRev.56.188
6. H. H. Nielsen, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.23.90 23, 90 (1951).
7. H. W. Kroto, Molecular Rotation Spectra (Dover, New York, 1992).
8. J. Tennyson and B. T. Sutcliffe, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.444316 77, 4061 (1982).
9. C. -L. Chen, B. Maessen, and M. Wolfsberg, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.449368 83, 1795 (1985).
10. V. Spirko, P. Jensen, P. R. Bunker, and A. Cejchan, J. Mol. Spectrosc. JMOSA3 0022-2852 112, 183 (1985). 10.1016/0022-2852(85)90203-6
11. J. Tennyson and B. T. Sutcliffe, Mol. Phys. MOPHAM 0026-8976 10.1080/00268978600101811 58, 1067 (1986).
12. M. Márquez-Mijares, T. González-Lezana, O. Roncero, S. Miret-Art́s, G. Delgado-Barrio, and P. Villarreal, Chem. Phys. Lett. CHPLBC 0009-2614 460, 417 (2008). 10.1016/j.cplett.2008.06.052
13. I. P. Hamilton and J. C. Light, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.450139 84, 306 (1986).
14. T. González-Lezana, J. Rubayo-Soneira, S. Miret-Art́s, F. A. Gianturco, G. Delgado-Barrio, and P. Villarreal, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.82.1648 82, 1648 (1999).
15. T. González-Lezana, J. Rubayo-Soneira, S. Miret-Art́s, F. A. Gianturco, G. Delgado-Barrio, and P. Villarreal, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478819 110, 9000 (1999).
16. S. Orlandini, I. Baccarelli, and F. A. Gianturco, Comput. Phys. Commun. CPHCBZ 0010-4655 180, 384 (2009). 10.1016/j.cpc.2008.10.014
17. I. Baccarelli, G. Delgado-Barrio, F. A. Gianturco, T. González-Lezana, S. Miret-Art́s, and P. Villarreal, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2000-00307-8 50, 567 (2000).
18. I. Baccarelli, G. Delgado-Barrio, F. A. Gianturco, T. González-Lezana, S. Miret-Art́s, and P. Villarreal, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b002415p 2, 4067 (2000).
19. T. González-Lezana, S. Miret-Art́s, G. Delgado-Barrio, P. Villarreal, J. Rubayo-Soneira, I. Baccarelli, F. Paesani, and F. A. Gianturco, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/S0010-4655(02)00152-2 145, 156 (2002).
20. I. Baccarelli, F. A. Gianturco, T. González-Lezana, G. Delgado-Barrio, S. Miret-Art́s, and P. Villarreal, Phys. Rep. PRPLCM 0370-1573 452, 1 (2007). 10.1016/j.physrep.2007.07.002
21. T. González-Lezana, D. López, S. Miret-Art́s, F. A. Gianturco, G. Delgado-Barrio, and P. Villarreal, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(00)01423-8 335, 105 (2001).
22. D. M. Leitner, R. S. Berry, and R. M. Whitnell, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456876 91, 3470 (1989).
23. T. R. Horn, R. B. Gerber, J. J. Valentini, and M. A. Ratner, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460249 94, 6728 (1991).
24. D. M. Leitner, J. D. Doll, and R. M. Whitnell, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.460292 94, 6644 (1991).
25. A. R. Cooper, S. Jain, and J. M. Hutson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464194 98, 2160 (1993).
26. C. Chakravarty, R. J. Hinde, D. M. Leitner, and D. J. Wales, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.56.363 56, 363 (1997).
27. N. J. Wright and J. M. Hutson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478057 110, 902 (1999).
28. D. Blume and C. H. Greene, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1288385 113, 4242 (2000).
29. D. Blume, C. H. Greene, and B. D. Esry, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.482027 113, 2145 (2000).
30. S. Garashchuk and J. C. Light, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1348022 114, 3929 (2001).
31. P. -N. Roy, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1599348 119, 5437 (2003).
32. I. Baccarelli, F. A. Gianturco, T. González-Lezana, G. Delgado-Barrio, S. Miret-Art́s, and P. Villarreal, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1879972 122, 144319 (2005).
33. G. Chalasiński, M. Szczśniak, and R. A. Kendall, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.468078 101, 8860 (1994).
34. R. Bukowski and K. Szalewicz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1370084 114, 9518 (2001).
35. A. Dullweber and D. J. Wales, Mol. Phys. MOPHAM 0026-8976 10.1080/002689798167818 94, 651 (1998).
36. V. F. Lotrich and K. Szalewicz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473832 106, 9688 (1997).
37. F. Karlick, B. Lepetit, R. Kalus, and F. X. Gadea, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2721564 126, 174305 (2007).
38. M. Salci, S. B. Levin, N. Elander, and E. Yarevsky, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2955736 129, 134304 (2008).
39. R. T. Pack and G. A. Parker, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.455862 90, 3511 (1989).
40. F. T. Smith, J. Math. Phys. JMAPAQ 0022-2488 10.1063/1.1724275 3, 735 (1962).
41. R. C. Whitten and F. T. Smith, J. Math. Phys. JMAPAQ 0022-2488 10.1063/1.1664683 9, 1103 (1968).
42. B. R. Johnson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.439983 73, 5051 (1980).
43. B. R. Johnson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.445970 79, 1916 (1983).
44. R. T. Pack and G. A. Parker, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.452944 87, 3888 (1987).
45. A. Aguado, O. Roncero, C. Tablero, C. Sanz, and M. Paniagua, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.480539 112, 1240 (2000).
46. C. Sanz, O. Roncero, C. Tablero, A. Aguado, and M. Paniagua, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1336566 114, 2182 (2001).
47. E. Cuervo-Reyes, J. Rubayo-Soneira, A. Aguado, M. Paniagua, C. Tablero, C. Sanz, and O. Roncero, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b206379b 4, 6012 (2002).
48. R. N. Zare, Angular Momentum (Wiley, New York, 1988).
49. L. Wolniewicz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456483 90, 371 (1989).
50. J. K. G. Watson, J. Mol. Spectrosc. JMOSA3 0022-2852 103, 350 (1984). 10.1016/0022-2852(84)90062-6
51. C. H. Townes and A. L. Schawlow, Microwave Spectroscopy (Dover, New York, 1975).
52. A. Ernesti and J. M. Hutson, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/0009-2614(94)00329-7 222, 257 (1994).
53. C. Eckart, Phys. Rev. PHRVAO 0031-899X 47, 552 (1935). 10.1103/PhysRev.47.552
54. J. H. Van Vleck, Phys. Rev. PHRVAO 0031-899X 33, 467 (1929). 10.1103/PhysRev.33.467
55. J. Jellinek and D. H. Li, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.62.241 62, 241 (1989).
56. V. H. Diehl, S. Flügge, U. Schröder, A. Völkel, and A. Weiguny, Z. Phys. ZEPYAA 0044-3328 10.1007/BF01342461 162, 1 (1961).
57. R. A. Aziz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.466051 99, 4518 (1993).
58. C. Lanczos, J. Res. Natl. Bur. Stand. JRNBAG 0160-1741 45, 255 (1950).
59. J. K. Cullum and R. A. Willoughby, Lanczos Algorithms for Large Symmetric Eigenvalues Computations (Birkhäuser, Boston, 1985).
60. C. -E. Fröberg, in Numerical Mathematics: Theory and Computer Applications (The Benjamin/Cummings, New York, 1985).
61. R. E. Wyatt, Adv. Chem. Phys. ADCPAA 0065-2385 73, 231 (1989). 10.1002/9780470141229.ch5
62. A. Ernesti and J. M. Hutson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.470223 103, 3386 (1995).
63. I. Baccarelli, F. A. Gianturco, T. González-Lezana, G. Delgado-Barrio, S. Miret-Art́s, and P. Villarreal, J. Phys. Chem. A JPCAFH 1089-5639 110, 5487 (2006). 10.1021/jp0563890
64. J. Tennyson and A. van der Avoird, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.442966 76, 5710 (1982).
65. N. J. Wright, Ph.D. thesis, University of Durham, 1998, Chap. 7.
66. J. M. Hutson, J. A. Beswick, and N. Halberstadt, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.456075 90, 1337 (1989).