An empirical formula to estimate off-diagonal adiabatic corrections to rotation-vibrational energy levels

Theoretical Chemistry Accounts

Volumn 127, Issue 3, 2010, Pages 149-155

  Alijah, Alexander ^a   Andrae, Dirk ^b   Hinze, Juergen ^c  

^a FEDERAL UNIVERSITY OF MINAS GERAIS   (Brazil)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

^c NONE

Author keywords

Adiabatic correction; Non Born Oppenheimer approach; Rotation vibrational states

Indexed keywords

EID: 77957660131     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0710-1     Document Type: Article

References (60)

1. Born M (1951) Nachr. Akad. Wiss. Göttingen, Math.-Phys. Kl., 2A: Math.-Phys.-Chem. Abt., Nr. 6, p 1.
2. Born M, Huang K (1954) Dynamical theory of crystal lattices, appendix VIII. Oxford University Press, London, pp 406-407.
3. Kołos W, Wolniewicz L (1963) Rev Mod Phys 35: 473.
4. Kołos W, Wolniewicz L (1964) J Chem Phys 64: 3674.
5. Wolniewicz L (1995) J Chem Phys 103: 1792.
6. Wolniewicz L, Poll JD (1986) Mol Phys 59: 953.
7. Wolniewicz L (1965) J Chem Phys 43: 1087.
8. Bishop DM, Wetmore RW (1973) Mol Phys 26: 145.
9. Herman RM, Asgharian A (1966) J Mol Spectrosc 19: 305.
10. Bunker PR, Moss RE (1977) Mol Phys 33: 417.
11. Schwenke DW (2001) J Chem Phys 114: 1693.
12. Schwenke DW (2001) J Phys Chem A 105: 2352.
13. Leach CA, Moss RE (1995) Annu Rev Phys Chem 46: 55.
14. Jaquet R, Kutzelnigg W (2008) Chem Phys 346: 69.
15. Fábri C, Czakó G, Tasi G, Császár AG (2009) J Chem Phys 130: 134314.
16. Pachucki K, Komasa J (2009) J Chem Phys 130: 164113.
17. Bubin S, Leonarski F, Stanke M, Adamowicz L (2009) Chem Phys Lett 477: 12.
18. Grozdanov TP, McCarroll R (2008) J Chem Phys 128: 114317.
19. Bubin S, Leonarski F, Stanke M, Adamowicz L (2009) J Chem Phys 130: 124120.
20. Pavanello M, Bubin S, Molski M, Adamowicz L (2005) J Chem Phys 123: 104306.
21. Alijah A, Hinze J (2006) Philos Trans R Soc Lond A 364: 2877.
22. Geballe TR, Oka T (2006) Science 312: 1610.
23. Röhse R, Kutzelnigg W, Jaquet R, Klopper W (1994) J Chem Phys 101: 2231.
24. Cencek W, Rychlewski J, Jaquet R, Kutzelnigg W (1998) J Chem Phys 108: 2831.
25. Tennyson J, Sutcliffe BT (1982) J Chem Phys 77: 4061.
26. Tennyson J, Henderson JR, Fulton NG (1995) Comput Phys Commun 86: 175.
27. Wolniewicz L (1989) J Chem Phys 90: 371.
28. Wolniewicz L, Hinze J (1994) J Chem Phys 101: 9817.
29. Jaquet R, Cencek W, Kutzelnigg W, Rychlewski J (1998) J Chem Phys 108: 2837.
30. Polyansky OL, Tennyson J (1999) J Chem Phys 110: 5056.
31. Schiffels P, Alijah A, Hinze J (2003) Mol Phys 101: 175.
32. Lindsay CM, McCall BJ (2001) J Mol Spectrosc 210: 60.
33. Jaquet R (2002) Spectrochim Acta A 58: 691.
34. Jaquet R (1999) Chem Phys Lett 302: 27.
35. Alijah A, Beuger M (1996) Mol Phys 88: 497.
36. Bachorz RA, Cencek W, Jaquet R, Komasa J (2009) J Chem Phys 131: 024105.
37. Pavanello M, Tung WC, Leonarski F, Adamowicz L (2009) J Chem Phys 130: 074105.
38. Silva BC, Barletta P, Munro JJ, Tennyson J (2008) J Chem Phys 128: 244312.
39. Amin A, Nazareth J, Tennyson J (2008) J Mol Spectrosc 252: 37.
40. Schiffels P, Alijah A, Hinze J (2003) Mol Phys 101: 189.
41. Morong CP, Gottfried JL, Oka T (2009) J Mol Spectrosc 255: 13.
42. Oka T, Morino Y (1961) J Mol Spectrosc 6: 472.
43. Gottfried JL (2006) Philos Trans R Soc Lond A 364: 2917.
44. Kreckel H, Bing D, Reinhardt S, Petrignani A, Berg M, Wolf A (2008) J Chem Phys 129: 164312.
45. Zülicke L (1984) Quantenchemie: ein Lehrgang, Bd. II. VEB Verlag der Wissenschaften, Berlin.
46. Handy NC, Yamaguchi Y, Schaefer III HF (1986) J Chem Phys 84: 4481.
47. Kutzelnigg W (1997) Mol Phys 90: 909.
48. Rey M, Tyutyerev VG (2007) Phys Chem Chem Phys 9: 2538.
49. Kutzelnigg W (2007) Mol Phys 105: 2627.
50. Wolniewicz L (1993) J Chem Phys 99: 1851.
51. Noumeroff B (1923) Publications de l'Observatoire Astrophysique Central de Russie 2: 188.
52. Johnson BR (1977) J Chem Phys 67: 4086.
53. Press WH, Teukolsky SA, Vetterling WT, Flannery BP (1992) Numerical recipes in Fortran: the art of scientific computing. Cambridge University Press, New York.
54. Gonçalves CP, Mohallem JR (2003) Theor Chem Acc 110: 367.
55. Gonçalves CP, Mohallem JR (2003) Chem Phys Lett 380: 378.
56. Gonçalves CP, Mohallem JR (2004) J Comp Chem 25: 1736.
57. Bunker PR, McLarnon CJ, Moss RE (1977) Mol Phys 33: 425.
58. Moss RE (1996) Mol Phys 89: 195.
59. Moss RE, Jopling D (1996) Chem Phys Lett 260: 377.
60. Barletta P, Shirin SV, Zobov NF, Polyansky OL, Tennyson J, Valeev EF, Császár AG (2006) J Chem Phys 125: 204307.