References
- A Primer in Density Functional Theory, edited by C. Fiolhais, F. Nogueira and M. Marques (Springer-Verlag, NY, 2003).
- Hohenberg , P and Kohn , W . 1964 . Phys. Rev. , 136 : B 864
- Kohn , W and Sham , LJ . 1965 . Phys. Rev. , 140 : A 1133
- Dirac , PAM . 1929 . Proc. R. Soc. London A , 123 : 714
- Slater , JC . 1951 . Phys. Rev. , 81 : 385
- Vosko , S , Wilk , L and Nusair , M . 1980 . Can. J. Phys. , 58 : 1200
- Becke , AD . 1988 . Phys. Rev. A , 38 : 3098
- Lee , C , Yang , W and Parr , RG . 1988 . Phys. Rev. B , 37 : 785
- Burke , K , Perdew , JP and Wang , Y . 1998 . Electronic Density Functional Theory: Recent Progress and New Directions , Edited by: Dobson , JF , Vignale , G and Das , MP . 81 NY : Plenum .
- Perdew , JP , Burke , K and Ernzerhof , M . 1996 . Phys. Rev. Lett. , 77 : 3865 78, 1396 (1997) (E)
- Becke , AD . 1993 . J. Chem. Phys. , 98 : 5648
- Perdew , JP , Ernzerhof , M and Burke , K . 1996 . J. Chem. Phys. , 105 : 9982
- Galbraith , JM and Schaefer , HF III . 1996 . J. Chem. Phys. , 105 : 862
- Rösch , N and Trickey , SB . 1997 . J. Chem. Phys. , 106 : 8940
- Shore , HB , Rose , JH and Zaremba , E . 1977 . Phys. Rev. B , 15 : 2858
- Jarecki , AA and Davidson , ER . 1999 . Chem. Phys. Lett. , 300 : 44
- de Oliviera , G , Martin , JML , de Proft , F and Geerlings , P . 1999 . Phys. Rev. A , 60 : 1034
- Rienstra-Kiracofe , JC , Tschumper , GS , Schaefer , HF III , Nandi , S and Ellison , GB . 2002 . Chem. Rev. , 102 : 231
- Lee , D , Furche , F and Burke , K . 2010 . J. Phys. Chem. Lett. , 1 : 2124
- Perdew , JP and Kurth , S . 2003 . A Primer in Density Functional Theory , Edited by: Fiolhais , C , Nogueira , F and Marques , M . 1 NY : Springer-Verlag .
- Umrigar , CJ and Gonze , X . 1994 . Phys. Rev. A , 50 : 3827
- Koopmans , T . 1934 . Physica A , 1 : 104
- Perdew , JP , Parr , RG , Levy , M and Balduz , JL Jr . 1982 . Phys. Rev. Lett. , 49 : 1691
- Perdew , JP and Levy , M . 1997 . Phys. Rev. B , 56 : 16021
- OPMKS:atomic DFT program, University of Frankfurt, Germany., E. Engel.
- Rappoport , D , Crawford , NRM , Furche , F and Burke , K . 2009 . Computational Inorganic and Bioinorganic Chemistry , Edited by: Solomon , EI , King , RB and Scott , RA . Chichester : Wiley .
- Dunning , TH Jr . 1989 . J. Chem. Phys. , 90 : 1007
- Woon , DE and Dunning , TH Jr . 1993 . J. Chem. Phys. , 98 : 1358
- Perdew , JP and Zunger , A . 1981 . Phys. Rev. B , 23 : 5048
- Dreizler , RM and Gross , EKU . 1995 . Density Functional Theory, Vol. 337 of NATO ASI Series B , Edited by: Gross , EKU and Dreizler , RM . New York : Plenum Press .
- Talman , JD and Shadwick , WF . 1976 . Phys. Rev. A , 14 : 36
- Della Sala , F and Görling , A . 2001 . J. Chem. Phys. , 115 : 5718
- Weimer , M , Della Sala , F and Görling , A . 2003 . Chem. Phys. Lett. , 372 : 538
- Görling , A and Ernzerhof , M . 1995 . Phys. Rev. A , 51 : 4501
- Tozer , DJ . 1997 . Phys. Rev. A , 56 : 2726
- Tozer , DJ and Handy , NC . 1998 . J. Chem. Phys. , 109 : 10180
- Teale , AM , De Proft , F and Tozer , DJ . 2008 . J. Chem. Phys. , 129 : 044110
- TURBOMOLE V6.2, TURBOMOLE GmbH, Karlsruhe, 2010, http://www.turbomole.com
- Tao , J , Perdew , JP , Staroverov , VN and Scuseria , GE . 2003 . Phys. Rev. Lett. , 91 : 14640
- Tozer , DJ and De Proft , F . 2005 . J. Phys. Chem. A , 109 : 8923