The atomization energy of Mg 4

Chemical Physics Letters

Volumn 300, Issue 3-4, 1999, Pages 364-368

  Bauschlicher Jr , Charles W ^a   Partridge, Harry ^a  

^a NASA AMES RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001342389     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0009-2614(98)01381-5     Document Type: Article

References (24)

1. Yamada T. J. Vac. Sci. Technol. A. 16:1998;1403.
2. T. Yamada, C.W. Bauschlicher, H. Partridge, Phys. Rev. B., submitted.
3. T.J. Lee, A.P. Rendell, P.R. Taylor, J. Chem. Phys. 92 (1990) 489; 93 (1990) 6636.
4. T.J. Lee, A.P. Rendell, P.R. Taylor, J. Chem. Phys. 92 (1990) 489; 93 (1990) 6636.
5. Bartlett R.J. Annu. Rev. Phys. Chem. 32:1981;359.
6. Raghavachari K., Trucks G.W., Pople J.A., Head-Gordon M. Chem. Phys. Lett. 157:1989;479.
7. Klopper W., Almlöf J. J. Chem. Phys. 99:1993;5167.
8. Curtiss L.A., Raghavachari K., Trucks G.W., Pople J.A. J. Chem. Phys. 94:1991;7221.
9. Ricca A., Bauschlicher C.W. J. Phys. Chem. 102:1998;876.
10. Dunning T.H. J. Chem. Phys. 90:1989;1007.
11. Kendall R.A., Dunning T.H., Harrison R.J. J. Chem. Phys. 96:1992;6796.
12. Woon D.E., Dunning T.H. J. Chem. Phys. 98:1993;1358.
13. D.E. Woon, T.H. Dunning Jr., to be published.
14. Helgaker T., Klopper W., Koch H., Noga J. J. Chem. Phys. 106:1997;9639.
15. Martin J.M.L. Chem. Phys. Lett. 259:1996;669.
16. Becke A.D. J. Chem. Phys. 98:1993;5648.
17. Stephens P.J., Devlin F.J., Chabalowski C.F., Frisch M.J. J. Phys. Chem. 98:1994;11623.
18. Frisch M.J., Pople J.A., Binkley J.S. J. Chem. Phys. 80:1984;3265. and references therein.
19. Hess B.A. Phys. Rev. A. 32:1985;756.
20. Gaussian 94, Revision D.1, M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian, Inc., Pittsburgh PA, 1995.
21. MOLPRO is a package of ab initio programs written by H.-J. Werner, P.J. Knowles, with contributions from J. Almlöf, R.D. Amos, A. Berning, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, S.T. Elbert, C. Hampel, R. Lindh, A.W. Llyod, W. Meyer, A. Nicklass, K. Peterson, R. Pitzer, A.J. Stone, P.R. Taylor, M.E. Mura, P. Pulay, M. Schütz, H. Stoll, T. Thorseinsson. The closed shell CCSD program is described in C. Hampel, K. Peterson, H.-J. Werner, Chem. Phys. Lett. 190 (1992) 1.
22. MOLECULE-SWEDEN is an electronic structure program written by Almlöf J, Bauschlicher CW, Blomberg MRA, Chong DP, Heiberg A, Langhoff SR, Malmqvist P-Å, Rendell AP, Roos BO, Siegbahn PEM, Taylor PR.
23. TITAN is a set of electronic structure programs written by T.J. Lee, A.P. Rendell, J.E. Rice.
24. Bauschlicher C.W., Ricca A. J. Phys. Chem. 102:1998;8044.