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17.1.2 B: Becke (1988) gradient-corrected exchange energy
A. D. Becke, Phys. Rev. A 38 (1988) 3098.
where we define for each of the
and
spin densities
with
.
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000