Toward reliable adiabatic connection models free from adjustable parameters

Chemical Physics Letters

Volumn 274, Issue 1-3, 1997, Pages 242-250

  Adamo, C ^a   Barone, V ^a  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031206621     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00651-9     Document Type: Article

References (35)

1. [1] A.D. Becke, J. Chem. Phys. 98 (1993) 1372.
2. [2] V. Barone, C. Adamo, Chem. Phys. Lett. 224 (1994) 432.
3. [3] V. Barone, J. Chem. Phys. 101 (1994) 6834.
4. [4] J. Baker, J. Andzelm, M. Muir, P.R. Taylor, Chem, Phys. Lett. 237 (1995) 53.
5. [5] R. Neumann, N.C. Handy, Chem. Phys. Lett. 252 (1996) 19.
6. [6] O. Gunnarson, B.I. Lundqvist, Phys. Rev. B 13 (1976) 4274.
7. [7] E. Ruiz, D.R. Salahub, A. Vela, J. Phys. Chem. 100 (1996) 12265.
8. [8] K. Kim, K.D. Jordan, J. Phys. Chem. 98 (1994) 10089.
9. [9] A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
10. [10] J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, C. Fiolhais, Phys. Rev. B 46 (1992) 6671.
11. [11] A.D. Becke, Phys. Rev. B 38 (1988) 3098.
12. [12] C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37 (1988) 785.
13. [13] C.W. Bauschlicher, Chem. Phys. Lett. 246 (1995) 40.
14. [14] V. Barone, in: Recent Advances in Density Functional Methods (Part I), D.P. Chong (Ed.), World Scientific, Singapore, 1996.
15. [15] A.D. Becke, J. Chem. Phys. 104 (1996) 1040.
16. [16] J.P. Perdew, M. Ernzerhof, K. Burke, J. Chem. Phys. 105 (1996) 9982.
17. [17] O.V. Gritsenko, R. van Leeuwen, E.J. Baerends, Int. J. Quantum Chem. QCS 30 (1996) 163.
18. [18] A. Gorling, M. Levy, J. Chem. Phys. 106 (1997) 2675.
19. [19] K. Burke, M. Ernzerhof, J.P. Perdew, Chem. Phys. Lett. 265 (1997) 115.
20. [20] A. Gorling, M. Levy, Phys. Rev. B 47 (1993) 13105.
21. [21] L.A. Curtiss, K. Raghavachari, G.W. Trucks, J.A. Pople, J. Chem. Phys. 94 (1991) 7221.
22. [22] B.G. Johnson, P.M.W. Gill, J.A. Pople, J. Chem. Phys. 98 (1993) 5612.
23. [23] T.J. Lee, C.W. Bauschlicher, C.E. Dateo, J.E. Rice, Chem. Phys. Lett. 228 (1994) 583.
24. [24] V. Barone, Chem. Phys. Lett. 262 (1996) 201.
25. [25] V. Barone, C. Adamo, J. Chem. Phys. 105 (1996) 11007.
26. [26] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. AlLaham, V.G. Zakrewski, 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 94 rev. D4, Gaussian Pittsburgh, PA, (1996).
27. [27] P.A.M. Dirac, Proc. Cambridge Philos. Soc. 26 (1930) 376.
28. [28] S.H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 58 (1980) 1200.
29. [29] R. Krishnan, J.S. Binkley, R. Seeger, J.A. Pople, J. Chem. Phys. 72 (1980) 650.
30. [30] H. Mikami, S. Saito, S. Yamamoto, J. Chem. Phys. 94 (1991) 3415.
31. [31] K.B. Wiberg, K.E. Laidig, J. Am. Chem, Soc. 109 (1987) 5935.
32. [32] J. Andzelm, C. Kölmel, A. Klamt, J. Chem. Phys. 103 (1995) 9312.
33. [33] A.D. Becke, Chem. Phys. Lett. 233 (1995) 134.
34. [34] B.G. Johnson, C.A. Gonzales, P.M.W. Gill, J.A. Pople, Chem. Phys. Lett. 221 (1994) 100.
35. [35] C. Adamo, V. Barone, submitted.