The performance of multi-reference ACPF-like methods for the dipole moment of FeO

Chemical Physics Letters

Volumn 364, Issue 1-2, 2002, Pages 39-43

  Cardoen, Wim ^a,b   Gdanitz, Robert J ^a  

^a UNIVERSITY OF UTAH   (United States)

^b TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037163531     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(02)00921-1     Document Type: Article

References (19)

1. R.J. Gdanitz, R. Ahlrichs, Chem. Phys. Lett. 143 (1988) 413.
2. R.J. Gdanitz, Intern. J. Quant. Chem. 85 (2001) 281.
3. P.G. Szalay, R.J. Bartlett, Chem. Phys. Lett. 214 (1993) 481.
4. H.P. Kelly, A.M. Sessler, Phys. Rev. 132 (1963) 2091.
5. H.P. Kelly, Phys. Rev. 134 (1964) 1450.
6. W. Kutzelnigg, in: H.F. Schaefer III (Ed.), Methods of Electronic Structure Theory, Plenum Press, New York and London, 1977, p. 129 (Chapter 5).
7. R.J. Gdanitz, J. Chem. Phys. 109 (1998) 9795.
8. R.J. Gdanitz, J. Chem. Phys. 110 (1999) 706.
9. W.D. Laidig, R.J. Bartlett, Chem. Phys. Lett. 104 (1984) 424.
10. C.W. Bauschlicher Jr., S.R. Langhoff, A. Komornicki, Theor. Chim. Acta 77 (1990) 263.
11. A.D. Buckingham, in: I. Prigogine, S. Rice (Eds.), Intermolecular Forces, Interscience Publishers, New York, 1967, p. 107.
12. 12-MR-CI programs, unpublished, 1997. AMICA is distributed freely through the Internet site http://gdanitz.hec.utah.edu/amica.
13. R. Shepard, I. Shavitt, R.M. Pitzer, D.C. Comeau, M. Pepper, H. Lischka, P.G. Szalay, R. Ahlrichs, F.B. Brown, J.-G. Zhao, Intern. J. Quant. Chem., Quant. Chem. Symp. 22 (1988) 149.
14. A.J. Merer, Ann. Rev. Phys. Chem. 40 (1989) 407.
15. R. Shepard, H. Lischka, P.G. Szalay, T. Kovar, M. Ernzerhof, J. Chem. Phys. 96 (1992) 2085.
16. C. Bauschlicher, P. Taylor, Theor. Chim. Acta 74 (1988) 63.
17. T.J. Lee, P.R. Taylor, Intern. J. Quant. Chem., Quant. Chem. Symp. 23 (1989) 199.
18. T.J. Lee, J.E. Rice, G.E. Scuseria, H.F. Schaefer III, Theoret. Chim. Acta 75 (1989) 81.
19. P.R. Taylor, in: B. Roos (Ed.), Lecture Notes in Quantum Chemistry, Springer, Berlin, 1992, p. 325.