The SF6- enigma for density functional theory: Is the KMLYP functional a reasonable solution for this problematic anion?

Chemical Physics Letters

Volumn 381, Issue 1-2, 2003, Pages 123-128

  Brinkmann, Nicole R ^a   Schaefer III, Henry F ^a  

^a UNIVERSITY OF GEORGIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANION; SULFUR HEXAFLUORIDE;

ARTICLE; CALIBRATION; DENSITY FUNCTIONAL THEORY; ELECTRON; MATHEMATICAL ANALYSIS; NORMAL DISTRIBUTION; TECHNIQUE; THEORETICAL STUDY;

EID: 0242302385     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.08.128     Document Type: Article

References (35)

1. Choi S.K., Ha D.Y., Ju H.J., Shim J.H., Lee C., Kang H.B. IEEE T. Magn. 38:2002;1289.
2. Vondrak J., Sedlarikova M., Liedermann K. Chem. Listy. 95:2001;791.
3. Christophorou L.G., Olthoff J.K. J. Phys. Chem. Ref. Data. 29:2000;267.
4. Chutjian A., Alajajian S.H. Phys. Rev. A. 31:1985;2885.
5. Kline L.E., Davies D.K., Chen C.L., Chantry P.J. J. Appl. Phys. 50:1979;6789.
6. Jesse S., Pedraza A.J., Fowlkes J.D., Budai J.D. J. Mater. Res. 17:2002;1002.
7. Kwon K.H., Kang S.Y., Lee S.K., Kim S.I., Hong N.K., Nahm S., Kim Y.S. J. Electrochem. Soc. 149:2002;C280.
8. Yoshino K., Hayashi S., Kohno Y., Kaneto K., Okube J., Moriya T. Jpn. J. Appl. Phys. 23:1984;L198.
9. Hayashi S., Ishii G., Yoshino K., Okube J., Moriya T. Jpn. J. Appl. Phys. 23:1984;1488.
10. Yoshino K., Hayashi S., Ishii G., Inuishi Y. Solid State Commun. 46:1983;305.
11. Yoshino K., Hayashi S., Ishii G., Inuishi Y. Jpn. J. Appl. Phys. 22:1983;L375.
12. Yoshino K., Hayashi S., Inuishi Y. Jpn. J. Appl. Phys. 21:1982;L569.
13. Olthoff J.K., Van Brunt R.J., Herron J.T., Sauers I. Anal. Chem. 63:1991;726.
14. Herron J.T. IEEE Trans. Electr. Insul. EI-22:1987;523.
15. Maiss M., Brenninkmeijer C.A.M. Environ. Sci. Technol. 32:1998;3077.
16. Javahery G., Becker H., Korobov M.V., Garber M., Cooper D., Bohme D.K. Int. J. Mass Spectrom. Ion Process. 133:1994;73.
17. Becker H., Hrusak J., Schwarz H., Bohme D.K. J. Chem. Phys. 100:1994;1759.
18. Kiang T., Zare R.N. J. Am. Chem. Soc. 102:1980;4024.
19. Musher J. Angew Chem., Int. Ed. Engl. 8:1969;54.
20. Chen E.C.M., Wiley J.R., Batten C.F., Wentworth W.E. J. Phys. Chem. 98:1994;88.
21. Datskos P.G., Carter J.G., Christophorou L.G. Chem. Phys. Lett. 239:1995;38.
22. King R.A., Galbraith J.M., Schaefer H.F. J. Phys. Chem. 100:1996;6061.
23. Brown S.T., Rienstra-Kiracofe J.C., Schaefer H.F. J. Phys. Chem. A. 103:1999;4065.
24. Brown S.T., Rienstra-Kiracofe J.C., Schaefer H.F. J. Phys. Chem. A. 103:1999;4129.
25. Brinkmann N.R., Tschumper G.S., Schaefer H.F. J. Chem. Phys. 110:1999;6240.
26. Rienstra-Kiracofe J.C., Tschumper G.S., Schaefer H.F., Nandi S., Ellison G.B. Chem. Rev. 102:2002;231.
27. Klobukowski M., Diercksen G.H.F., García de la Vega J.M. Adv. Quantum Chem. 28:1997;189.
28. Gutsev G.L., Bartlett R.J. Mol. Phys. 94:1998;121.
29. Kang J.K., Musgrave C.B. J. Phys. Chem. 115:2001;11040.
30. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
31. M.J. Frisch, GAUSSIAN 94, Revision C.3, Gaussian, Inc., Pittsburgh, PA, 1995.
32. Becke A.D. J. Chem. Phys. 98:1993;5648.
33. Lee T.J., Schaefer H.F. J. Chem. Phys. 83:1985;1784.
34. Dunning T.H. J. Chem. Phys. 90:1989;1784.
35. Miller T.M., Stevens Miller A.E., Paulson J.F. J. Chem. Phys. 100:1994;8841.