Comment on "assessment of exchange correlation functionals" [A.J. Cohen, N.C. Handy, Chem. Phys. Lett. 316 (2000) 160-166]

Chemical Physics Letters

Volumn 325, Issue 1-3, 2000, Pages 317-321

  Ahlrichs, Reinhart ^a   Furche, Filipp ^a   Grimme, Stefan ^b  

^a UNIVERSITY OF KARLSRUHE   (Germany)

^b UNIVERSITY OF MÜNSTER   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000843605     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(00)00654-0     Document Type: Article

References (24)

1. Perdew J.P. Phys. Rev. B. 33:1986;8822.
2. Becke A.D. Phys. Rev. A. 36:1988;3098.
3. Becke A.D. J. Chem. Phys. 98:1993;5648.
4. Cohen A.J., Handy N.C. Chem. Phys. Lett. 316:2000;160.
5. Becke A.D. J. Chem. Phys. 107:1997;8554.
6. D.J. Tozer, M.E. Mura, R.D. Amos, N.C. Handy, in: F. Bernardi, L. Rivail (Eds.), ECCC 1 Computational Chemistry: FECS Conference held at the University Henri Poincaré, Nancy, France, May 1994, vol. 330, of AIP Conference Proc., AIP Press, New York, 1995, p. 3.
7. Eichkorn K., Weigend F., Treutler O., Ahlrichs R. Theor. Chem. Acc. 97:1997;119.
8. Adamo C., Ernzerhof M., Scuseria G.E. J. Chem. Phys. 112:2000;2643.
9. Häser M., Treutler O. J. Chem. Phys. 102:1995;3703.
10. Mateev A., Staufer M., Mayer M., Røsch N. Int. J. Quantum Chem. 75:1999;863.
11. Klopper W., Schütz M. Ber. Bunsenges. Phys. Chem. 99:1995;469.
12. Yu C.L., Bauer S.H. J. Phys. Chem. Ref. Data. 27:1998;807.
13. Bauschlicher C.W. Jr., Ricca A. Chem. Phys. Lett. 237:1995;14.
14. Andersson K., Roos B.O. Int. J. Quantum Chem. 45:1993;591.
15. K.P. Huber, G. Herzberg, Constants of Diatomic Molecules, vol. 4, Molecular Spectra and Molecular Structure, Van Nostrand Reinhold, New York, 1979.
16. A. Haaland, J. Lusztyk, D.P. Novak, J. Brunvoll, K.B. Starowieyski, J. Chem. Soc. Chem. Commun., 1974, p. 54.
17. A.F. Wells, Structural Inorganic Chemistry, 5th edn., Clarendon Press, 1994, Oxford.
18. Perdew J.P., Burke K., Ernzerhof M. Phys. Rev. Lett. 77:1996;3865.
19. Zhang Y., Yang W. Phys. Rev. Lett. 80:1998;890.
20. Hammer B., Hansen L.B., Nørskov J.K. Phys. Rev. B. 59:1999;7413.
21. Perdew J.P., Kurth S., Zupan A., Blaha P. Phys. Rev. Lett. 82:1999;2544.
22. Kurth S., Perdew J.P., Blaha P. Int. J. Quantum Chem. 75:1999;889.
23. Boese A.D., Doltsinis N.L., Handy N.C., Sprik M. J. Chem. Phys. 112:2000;1670.
24. A.J. Cohen, N.C. Handy, private communication.