Comparison of the T1 and D1 diagnostics for electronic structure theory: A new definition for the open-shell D11 diagnostic

Chemical Physics Letters

Volumn 372, Issue 3-4, 2003, Pages 362-367

  Lee, Timothy J ^a  

^a NASA AMES RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037472085     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(03)00435-4     Document Type: Article

References (12)

1. Leininger M.L. Nielsen I.M.B. Crawford T.D. Janssen C.L. Chem. Phys. Lett. 328 2000 431.
2. Janssen C.L. Nielsen I.M.B. Chem. Phys. Lett. 290 1998 423.
3. Lee T.J. Rice J.E. Scuseria G.E. Schaefer H.F. Theor. Chim. Acta 75 1989 81.
4. Lee T.J. Taylor P.R. Int. J. Quantum Chem. Symp. 23 1989 199.
5. Lee T.J. Scuseria G.E. Langhoff S.R. Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy 1995 47 Kluwer Academic Dordrecht.
6. Jayatilaka D. Lee T.J. J. Chem. Phys. 98 1993 9734.
7. Jayatilaka D. Lee T.J. Chem. Phys. Lett. 199 1992 211.
8. Dunning T.H. J. Chem. Phys. 90 1989 1007.
9. T.D. Crawford, C.D. Sherrill, E.F. Valeev et al., PSI 3.2, 2002
10. Walpole R.E. Myers R.H. Probability and Statistics for Engineers and Scientists second ed. 1978 Macmillan New York p. 305 and p. 492
11. Lee T.J. Head-Gordon M. Rendell A.P. Chem. Phys. Lett. 243 1995 402.
12. Nielsen I.M.B. Janssen C.L. Chem. Phys. Lett. 310 1999 568.