Dear users.

Please find in below 7 exchange-correlation functionals available in
calculation with SAOP potential. My questions are:

1) Does the LDA(VWN) energy is calculated without generalized gradient
approximation?
2) What is the difference among VS98, VS98-x(xc), and VS98-x-only?
3) What is the difference among Becke00, Becke00-x(xc), and
Becke00-x-only?
4) In [J. Chem. Phys. 2000, 112(9), 4020-4026] the exchange functional
Becke00 is used together with the correlation functional Becke88. Is the
same combination of functionals used in ADF 2004.01?

XC Energy Functional
====================
[...]
FR: VS98 [4] =
FR: LDA(VWN) [5] =
[...]
FR: VS98-x(xc) [22] =
FR: VS98-x-only [23] =
FR: Becke00 [24] =
FR: Becke00x(xc) [25] =
FR: Becke00-x-only [26] =
[...]

Thanks in advance.

Max.

--
Maximiliano Segala
msegala_at_iqm.unicamp.br
Reduza - Reutilize - Recicle