Potential curves of the ground state and low-lying states of the scandium dimer using state-averaged MCSCF orbitals

Chemical Physics Letters

Volumn 268, Issue 3-4, 1997, Pages 213-217

  Suzuki, Yoshi Ichi ^a   Asai, Shigeko ^a   Kobayashi, Katsushi ^a   Noro, Takeshi ^a   Sasaki, Fukashi ^a   Tatewaki, Hiroshi ^b  

^a HOKKAIDO UNIVERSITY   (Japan)

^b NAGOYA CITY UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031564596     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00196-6     Document Type: Article

References (10)

1. [1] L.B. Knight, Jr., R.J. Van Zee and W. Weltner, Jr., Chem. Phys. Lett. 94 (1983) 296.
2. [2] S.P. Walch and C.W. Bauschlicher Jr., J. Chem. Phys. 79 (1983) 3590.
3. [3] H.Âkeby, L.G.M. Pettersson and P.E.M. Siegbahn, J. Chem. Phys. 97 (1992) 1850.
4. [4] H.Âkeby and L.G.M. Pettersson, J. Mol. Specytrosc. 159 (1993) 17.
5. [5] B.H. Lengsfield, III, J. Chem. Phys. 73 (1980) 382; B.H. Lengsfield, III and B. Liu, ibid. 74 (1981) 478; B. Liu and M. Yoshimine, ibid. 74 (1981) 612.
6. [5] B.H. Lengsfield, III, J. Chem. Phys. 73 (1980) 382; B.H. Lengsfield, III and B. Liu, ibid. 74 (1981) 478; B. Liu and M. Yoshimine, ibid. 74 (1981) 612.
7. [5] B.H. Lengsfield, III, J. Chem. Phys. 73 (1980) 382; B.H. Lengsfield, III and B. Liu, ibid. 74 (1981) 478; B. Liu and M. Yoshimine, ibid. 74 (1981) 612.
8. [6] F. Sasaki, Int. J. Quantum Chem. 6 (1974) 61; F. Sasaki, M. Sekiya, T. Noro, K. Ohtuki and Y. Osanai, in: Modern Techniques in Computational Chemistry MOTECC90, ed. E. Clementi (ESCOM, Leiden, 1990).
9. [6] F. Sasaki, Int. J. Quantum Chem. 6 (1974) 61; F. Sasaki, M. Sekiya, T. Noro, K. Ohtuki and Y. Osanai, in: Modern Techniques in Computational Chemistry MOTECC90, ed. E. Clementi (ESCOM, Leiden, 1990).
10. [7] E. Clementi and C. Roetti, Atomic Data and Nuclear Data Table (Academic Press, New York and London, 1974).