Accuracy of the MRSD-CI technique in computing the X 2 Σ+ ScO and TiN hyperfine tensors

Chemical Physics Letters

Volumn 271, Issue 1-3, 1997, Pages 125-132

  Mattar, Saba M ^a   Hamilton, William D ^a   Kingston, Christopher T ^a,b  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

^b UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031555970     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00443-0     Document Type: Article

References (34)

1. [1] A.J. Merer. Annu. Rev. Phys. Chem. 40 (1989) 407.
2. [2] W.J. Childs. T.C. Steimle, J. Chem. Phys. 88 (1988) 6168.
3. [3] M. Barnes, A.J. Merer. G.F. Metha. J. Chem. Phys. 103 (1995) 8360.
4. [4] W.J. Balfour, J. Cao. C.V.V. Prasad, C.X.W. Qian, J. Chem. Phys. 103 (1995) 4046.
5. [5] T.C. Steimle, J.E. Shirley, K.Y. Jung, L.R. Russon, C.T. Scurlock, J. Mol. Spectrosc. 144 (1990) 27.
6. [6] D.A. Fletcher, C.T. Scurlock, K.Y. Jung, T.C. Steimle, J. Chem. Phys. 99 (1993) 4288.
7. [7] C.W. Bauschlicher Jr.. S.P. Walch. S.R. Langhoff, Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry, A. Veillard (Ed.), NATO ASI Series, Ser. C. Reidel. Dordrecht, 1986.
8. [8] C.W. Bauschlicher Jr., S.P. Walch, H. Partridge, J. Chem. Phys. 76 (1982) 1033.
9. [9] C.W. Bauschlicher Jr., C.J. Nelin, P.S. Bagus, J. Chem. Phys. 82 (1985) 3265.
10. [10] C.E. Moore, Atomic Energy Levels, Vol. I, National Bureau of Standards Circular 467, 1949. Vols. I and II, National Bureau of Standards Circular 467, 1952.
11. [10] C.E. Moore, Atomic Energy Levels, Vol. I, National Bureau of Standards Circular 467, 1949. Vols. I and II, National Bureau of Standards Circular 467, 1952.
12. [10] C.E. Moore, Atomic Energy Levels, Vol. I, National Bureau of Standards Circular 467, 1949. Vols. I and II, National Bureau of Standards Circular 467, 1952.
13. [11] D. Feller, E.R. Davidson, J. Chem. Phys. 80 (1984) 1006.
14. [12] B. Engles, S.D. Peyerimhoff, Mol. Phys. 67 (1989) 583.
15. [13] D. Feller, E.D. Glendening, E.A. McCullough Jr., R.J. Miller, J. Chem. Phys. 99 (1993) 2829.
16. [14] S.M. Mattar, C. Bourque, C. Kennedy, Chem. Phys. Lett. 227 (1995) 539.
17. [15] S.M. Mattar, B.J. Doleman, Chem. Phys. Lett. 216 (1993) 369.
18. [16] S.M. Mattar, C. Kennedy. Chem. Phys. Lett. 238 (1995) 230.
19. [17] E.R. Davidson, unpublished results on VO, personal communication. June 1996.
20. [18] S.M. Mattar, W.D. Hamilton, manuscript in preparation.
21. [19] A.J.H. Wachters, J. Chem. Phys. 52 (1970) 1033.
22. [20] C.W. Bauschlicher Jr., S.R. Langhoff, L.A. Barnes, J. Chem. Phys. 91 (1989) 2399.
23. [21] F.B. van Duijneveldt, IBM Res. J. 16437 (1971) 945.
24. 22] G.L. Lie. E. Clementi. J. Chem. Phys. 60 (1974) 1275.
25. [23] E.R. Davidson, MELD (A Many Electron Description), in: MOTECC 91, E. Clementi (Ed.), ESCOM, Leiden. 1991, and references cited therein.
26. [24] G. Herzberg, Molecular Spectra and Molecular Structure, Van Nostrand, New York, 1950, pp. 93-109.
27. [25] D. Feller, E.R. Davidson, J. Chem. Phys. 84 (1981) 3977.
28. [26] P.M. Kasai, W. Weltner Jr., J. Chem. Phys. 43 (1965) 2553.
29. [27] W. Weltner Jr., D. McLeod, P.H. Kasai, J. Chem. Phys. 99 (1967) 3172.
30. [28] C.W. Bauschlicher Jr., S.R. Langhoff, J. Chem. Phys. 85 (1986) 5936.
31. [29] S.M. Mattar, J. Phys. Chem. 97 (1993) 3171.
32. [30] C.W. Bauschlicher Jr., Chem. Phys. Lett. 100 (1983) 515.
33. [31] J.F. Harrison, J. Phys. Chem. 100 (1996) 3513.
34. [32] R.A. Frosch, H.M. Foley, Phys. Rev. 88 (1952) 1337.