References
- Parr , R.G. and Yang , W. 1989 . Density Functional Theory of Atoms and Molecules , Oxford University Press .
- Handy , N.C. 1994 . Lecture Notes in Chemistry , 64 : 91 – 91 .
- Bartlett , R.J. 1989 . J. phys. Chem. , 93 : 1697 – 1697 . Lee, T. J., and Scureria, G. E., 1995, Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, edited by S. R. Langhoff (Dordrecht: Kluwer).
- Hohenberg , P. and Kohn , W. 1964 . Phys. Rev. A , 136 : 864 – 864 . Levy. M., 1979, Proc. Natl Acad. Sci. USA, 76, 6062.
- Slater , J.C. 1951 . Phys. Rev. , 81 : 385 – 385 .
- Vosko , S.J. , Wilk , L. and Nusair , M. 1980 . Can. J. Phys. , 58 : 1200 – 1200 .
- Becke , A.D. 1988 . J. chem. Phys. , 88 : 1053 – 1053 .
- Lee , C. , Yang , W. and Parr , R.G. 1988 . Phys. Rev. B , 37 : 785 – 785 .
- Becke , A.D. 1993 . J. chem. Phys. , 98 : 5648 – 5648 .
- Harris , J. 1984 . Phys. Rev. A , 29 : 1648 – 1648 . and references therein.
- Becke , A.D. 1993 . J. chem. Phys. , 98 : 1372 – 1372 .
- Kohn , W. and Sham , L.J. 1965 . Phys. Rev. , 140 : 1133 – 1133 .
- Perdew , J.P. and Wang , Y. 1992 . Phys. Rev. B , 45 : 13244 – 13244 .
- Eriksson , L.A. , Petterson , L.G.M. , Siegbahn , P.E.M. and Wahlgren , U. 1995 . J. chem. Phys. , 102 : 872 – 872 .
- Ricca , A. and Bauschlicher , C.W. Jr. 1994 . J. phys. Chem. , 98 : 12899 – 12899 .
- Bauschlicher , C.W. Jr. and Partridge , H. 1994 . Chem. Phys. Lett. , 231 : 277 – 277 .
- Holthausen , M.C. , Heinemann , C. , Cornehl , H.H. , Koch , W. and Schwarz , H. 1995 . J. chem. Phys. , 102 : 4931 – 4931 .
- Stephens , P.J. , Devlin , F.J. , Chabalowski , C.F. and Frisch , M.J. 1994 . J. phys. Chem. , 98 : 11629 – 11629 .
- Gill , P.M.W. , Johnson , B.G. , Pople , J.A. and Frisch , M.J. 1992 . Chem. Phys. Lett. , 197 : 499 – 499 .
- Martin , J.M.L. 1994 . J. chem. Phys. , 100 : 8186 – 8186 .
- Martin , J.M.L. 1995 . Chem. Phys. Lett. , 242 : 343 – 343 .
- Purvis , G.D. and Bartlett , R.J. 1982 . J. chem. Phys. , 76 : 1910 – 1910 .
- Scuseria , G.E. , Janssen , C.L. and Schaefer , H.F. III . 1988 . J. chem. Phys. , 89 : 7382 – 7382 .
- Raghavachari , K. , Trucks , G.W. , Pople , J.A. and Head-Gordon , M. 1989 . Chem. Phys. Lett. , 157 : 479 – 479 .
- Scuseria , G.E. 1991 . Chem. Phys. Lett. , 176 : 27 – 27 .
- Watts , J.D. , Gauss , J. and Bartlett , R.J. 1993 . J. chem. Phys. , 98 : 8718 – 8718 .
- Scuseria , G.E. and Lee , T.J. 1990 . J. chem. Phys. , 93 : 5851 – 5851 .
- Martin , J.M.L. and Taylor , P.R. 1994 . Chem. Phys. Lett. , 225 : 473 – 473 .
- Frisch , M.J. , Trucks , G.W. , Schlegel , H.B. , Gill , P.M.W. , Johnson , B.G. , Robb , M.A. , Cheeseman , J.R. , Keith , T. , Petersson , G.A. , Montgomery , J.A. , Raghavachari , K. , Al-Laham , M.A. , Zakrzewski , V.G. , Ortiz , J.V. , Foresman , J.B. , Cioslowski , J. , Stefanov , B.B. , Nanayakkara , A. , Challacombe , M. , Peng , C.Y. , Ayala , P.Y. , Chen , W. , Wong , M.W. , Andres , J.L. , Replogle , E.S. , Gomperts , R. , Martin , R.L. , Fox , D.J. , Binkley , J.S. , Defrees , D.J. , Baker , J. , Stewart , J.P. , Head-Gordon , M. , Gonzalez , C. and Pople , J.A. 1995 . Gaussian 94, Revision B.1 , Pittsburgh, PA : Gaussian, Inc. .
- Dunning , T.H. Jr. 1989 . J. chem. Phys. , 90 : 1007 – 1007 .
- Bramley , M.J. , Carter , S. , Handy , N.C. and Mills , I.M. 1993 . J. molec. Spectrosc. , 157 : 301 – 301 .
- Gray , D.L. and Robiette , A.G. 1979 . Molec. Phys. , 37 : 1901 – 1901 .
- Huber , K.P. and Herzberg , G. 1979 . Constants of Diatomic Molecules , New York : Van Nostrand Reinhold .
- Teffo , J.L. , Sulakshina , O.N. and Perevalov , V.I. 1992 . J. molec. Spectrosc. , 156 : 48 – 48 .
- Jensen , P. 1988 . J. molec. Spectrosc. , 128 : 478 – 478 .
- Smith , A.M. , Coy , S.L. , Klemperer , W. and Lehmann , K.K. 1989 . J. molec. Spectrosc. , 134 : 134 – 134 .
- Duncan , J.L. and Mills , I.M. 1964 . Spectrochim. Acta , 20 : 523 – 523 .
- Duncan , J.L. 1974 . Molec. Phys. , 28 : 1177 – 1177 .
- Teffo , J.L. and Chédin , A. 1989 . J. molec. Spectrosc. , 135 : 389 – 389 .
- Strey , G. and Mills , I.M. 1976 . J. molec. Spectrosc. , 59 : 103 – 103 .
- Lehmann , K.K. and Coy , S.L. 1988 . J. chem. Soc. Faraday Trans ii , 84 : 1389 – 1389 .
- Hoy , A.R. , Mills , I.M. and Strey , G. 1972 . Molec. Phys. , 24 : 1265 – 1265 .
- Harding , L.B. and Ermler , W.C. 1985 . J. comput. Chem. , 6 : 13 – 13 .
- Handy , N.C. , Murray , C.W. and Amos , R.D. 1993 . J. phys. Chem. , 97 : 4392 – 4392 .
- Johnson , B.G. and Frisch , M.J. 1993 . Chem. Phys. Lett. , 219 : 133 – 133 .
- Martin , J.M.L. , Lee , T.J. , Taylor , P.R. and François , J.P. 1995 . J. chem. Phys. , 103 : 2589 – 2589 .
- Simandiras , E.D. , Handy , N.C. and Amos , R.D. 1988 . J. phys. Chem. , 92 : 1739 – 1739 .
- Pliva , J. , Johns , J.W.C. and Goodman , L. 1991 . J. molec. Spectrosc. , 148 : 427 – 427 .
- Harmony , M.D. , Lawrie , V.W. , Kuczowski , R.L. , Schwendeman , R.H. , Ramsey , R.D. , Lovas , F.J. , Lafferty , W.J. and Maki , A.G. 1979 . J. Phys. Chem. Ref. Data , 8 : 619 – 619 .
- Rico , M. , Barranchina , H. and Orza , J.M. 1967 . J. molec. Spectrosc. , 24 : 133 – 133 .
- Navarro , R. and Orza , J.M. 1983 . Ann. Quim. Ser. A , 79 : 557 – 557 . 571; 1984, Ann. Quim. Ser. A, 80, 59; 1985, Ann. Quim. Ser. A, 81, 5.
- Handy , N.C. , Maslen , P.E. , Amos , R.D. , Anderws , J.S. , Murray , C.W. and Laming , G.J. 1992 . Chem. Phys. Lett. , 97 : 197 – 197 .