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¥¤mz<br />
<br />
¥¤<br />
©<br />
<br />
<br />
<br />
<br />
<br />
H αα<br />
V βα<br />
xc<br />
V αβ<br />
xc<br />
H ββ<br />
¢ Ψαn £<br />
¢ Ψβn £<br />
¤εn<br />
¢ Ψαn £<br />
¢ Ψβn £<br />
¢ Ψαn £<br />
and<br />
¢ Ψβn £<br />
couple over V αβ<br />
xc<br />
and V βα<br />
xc<br />
V αβ<br />
xc<br />
©<br />
n<br />
r<br />
r<br />
δE xc<br />
δn βα<br />
©<br />
n<br />
r<br />
r<br />
unfortunately, only <strong>in</strong> case m<br />
to E xc n r is known<br />
©<br />
r<br />
r n r<br />
<br />
diagonal , a reliable approximation<br />
M. MARSMAN, <strong>VASP</strong> WORKSHOP, VIENNA 10-15 FEBRUARY 2003. Page 6