Low-lying rydberg states of HCl

Journal of Physical Chemistry A

Volumn 112, Issue 14, 2008, Pages 3275-3280

  Pitarch Ruiz, J ^a   Sanchez De Meras A ^a   Sanchez Marin J ^a   Velasco, A M ^b   Lavin C ^b   Martin I ^b  

^a UNIVERSITY OF VALENCIA   (Spain)

^b UNIVERSITY OF VALLADOLID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; EXCITATION ENERGY; HYDROGEN; RYDBERG STATES;

APPLIED (CO); COUPLED-CLUSTER (CC); ELECTRIC-DIPOLE TRANSITIONS; HYDROGEN CHLORIDE (HCL); LOW LYING RYDBERG STATES; MOLECULAR QUANTUM DEFECT ORBITAL (MQDO); OSCILLATOR STRENGTH (OS); RYDBERG; RYDBERG SERIES; VERTICAL EXCITATION ENERGY (VEE);

ELECTRIC EXCITATION;

EID: 46749152941     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp711905c     Document Type: Article

References (47)

1. Blake, G. A.; Keene, J.; Phillips, T. G. Astrophys. J. 1985, 295, 501.
2. Schilke, P.; Phillips, T. G.; Wang, N. Astrophys. J. 1995, 441, 334.
3. Zmuidzinas, J.; Blake, G. A.; Carlstrom, J.; Keene, J.; Miller, D. Astrophys. J. 1995, 447, L125.
4. Yung, Y. L.; DeMore, W. C. Icarus 1982, 51, 199.
5. Nee, J. B.; Suto, M.; Nee, L. C. J. Chem. Phys. 1986, 85, 719.
6. Smith, P-L.; Yoshino, K.; Parkinson, W. H. IAU Symposium No. 87, Interstellar Molecules; Andrew, B., Ed.; Dordrecht: Reidel, 1980.
7. Price, W. C. Proc. R. Soc. London A 1938, 167, 216.
8. Tilford, S. G.; Ginter, M. J. Mol. Spectrosc. 1971, 40, 568.
9. Douglas, A. E.; Greening, F. R. Can. J. Phys. 1979, 57, 1650.
10. Ginter, D. S.; Ginter, M. L. J. Mol. Spectrosc. 1981, 90, 177.
11. Swan, D. A.; Cvejanovic, D.; King, G. C.; Read, F. H. J. Phys. B: At. Mol. Phys. 1984, 17, 1173.
12. Wang, R. G.; Dillon, M. A.; Spence, D. J. Chem. Phys. 1984. 80, 63.
13. York, T. A.; Comer, J. J. Phys. B: At. Mol. Phys. 1984, 17, 2563.
14. Jureta, J.; Cvejanovic, S.; Cvejanovic, D.; Kurepa, M.; Cubric, D. J. Phys. B: At. Mol. Opt. Phys. 1989, 22, 2623.
15. Green, D. S.; Bickel, G. A.; Wallace, S. C. J. Mol. Spectrosc 1991, 150, 303.
16. Kravan, A.; Wang, H. Mol. Phys. 2002, 100. 3513.
17. Hirst, D. M.; Guest, M. F. Mol. Phys. 1981, 4, 1483.
18. Bettendorf, M.; Peyerimhoff, S. D.; Buenker, R. J. Chem. Phys. 1982, 66, 261.
19. Velasco, A. M.; Pitarch-Ruiz, J.; Sánchez de Merás, A. M. J.; Sánchez-Marín, J. J. Chem. Phys. 2006, 124, 124313.
20. Pitarch-Ruiz, J.; Mayor, E.; Velasco, A. M.; Sánchez, de Merás, A.; Sánchez-Marín, J.; Martín, I. J. Phys. Chem. A 2007, 111, 3321.
21. Koch, H.; Jørgersen, P. J. Chem. Phys. 1990, 93, 3333.
22. Christiansen, O.; Koch, H.; Jørgersen, P. J. Chem. Phys. 1995, 103, 7429.
23. Martín, I.; Lavín, C.; Velasco, A. M.; Martín, M. O.; Karwowski, J.; Diercksen, G. H. F. Chem. Phys. 1996, 202, 307.
24. Martín, I.; Lavín, C.; Pérez-Delgado, Y.; Pitarch-Ruiz, J.; Sánchez-Marín, J. J. Phys. Chem. A 2001, 105, 9637.
25. Velasco, A. M.; Martín, I.; Pitarch-Ruiz, J.; Sánchez- Marín, J. J. Phys. Chem. A 2004, 108, 6724.
26. Dalton, A Molecular Electronic Structure Program, release 2.0, 2005 (see http://www.kjemi.uio.no/software/dalton/).
27. Christiansen, O.; Koch, H.; Halkier, A.; Jørgersen, P.; Helgaker, T.; Sánchez de Merás, A. J. Chem. Phys. 1996, 105, 6921.
28. Koch, H.; Sánchez de Merás, A.; Helgaker, T.; Christiansen, O. J. Chem. Phys. 1996, 104, 4157.
29. Widmark, P. O.; Malmqvist, P. A.; Roos, B. O. Theor. Chim. Acta 1990, 77, 291.
30. Roos, B. O.; Fülscher, M.; Malmqvist, P. A.; Merchán, M.; Serrano-Andrés, L. Theoretical Studies of the Electronic Spectra of Organic Molecules; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1995.
31. Kaufmann, K.; Baumeister, W.; Jungen, M. J Phys B: At. Mol. Opt. Phys. 1989, 22, 2223.
32. Mayor, E.; Velasco, A. M.; Martín, I. Chem. Phys. Lett. 2007, 441, 347.
33. Velasco. A. M.; Mayor, E.; Martín, I. Chem. Phys. Lett. 2003, 376, 159.
34. Ortiz, J. V.; Martín, I.; Velasco, A. M.; Lavín, C. J. Chem. Phys. 2004, 120, 7949.
35. Nasrallah, H. K.; Marmet, P. J. Phys. B. 1985, 18, 2075.
36. Kilcoyne. A. L.; Nordholm, S.; Hush. N. S. Chem. Phys. 1986, 107, 197.
37. Sánchez-Marín, J.; Nebot-Gil, I.; Maynau, D.; Malrieu, J. P. Theor. Chim. Acta 1995, 92, 241.
38. Bartlett, R. J.; Stanton, J. F. Applications of Post-Hartree-Fock Methods: A Tutorial in ReViews in Computational Chemistry; Boyd, D.; Lipkowitz, K., Eds.; VCH: New York, 1995; Vol. 5, pp 65-169.
39. Romanescu, C.; Manzhos, S.; Boldovsky, D.; Clarke, J.; Loock. H.-P. J. Chem. Phys. 2004, 120, 767.
40. Kvaran. A.; Wang, H.; Logadóttir, A. J. Chem. Phys. 2000, 112, 10811.
41. Liyane, R.; Gordon, R. J.; Field, R. W. J. Chem. Phys. 1998, 109, 8374.
42. Li, W.-B.; Zhu, L.-F.; Yuan, Z.-S.; Liu, X.-J.; Xu, K.-Z. J. Chem. Phys. 2006, 125, 154310.
43. Lefebvre-Brion, H.; Dehmer, P. M.; Chupka, W. A. J. Chem. Phys. 1987, 88, 811.
44. Li, Y.; Bludsky, O.; Hirsch, G.; Buenker, R. J. J. Chem. Phys. 2000, 112, 260.
45. Martín, I.; Karwowski, J. J. Phys. B: At. Mol. Opt. Phys. 1991, 24, 1539.
46. Lavín, C.; Velasco, A. M.; Martín, I. Astron. Astrophys. 1997, 328, 426.
47. Martin, W. C.; Wiese, W. L. Atomic, Molecular and Optical Physics Handbook; American Institute of Physics: Woodbury, New York, 1996.