Environmental Engineering Reference
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or equivalently
χ AB (
ω ) = lim
0 +
χ AB (
ω + i )
(3 . 3 . 4 b )
A
B
α >< α |
|
|
|
α>
= lim
0 +
( n α
n α ) .
E α
E α +
ih
αα
An interchange of α and α shows this expression to be the same as
(3 . 3 . 4 a ), with replaced by
. The application of Dirac's formula then
yields the absorptive part of the susceptibility (3 . 2 . 11 b )as
χ BA ( ω )= π
αα
A | α> ( n α −n α ) δ hω − ( E α −E α )
B | α >< α |
<α|
(3 . 3 . 5)
(equal to K BA ( ω ) / 2 i in accordance with (3.2.12)), whereas the reactive
part (3 . 2 . 11 a )is
E α = E α
B
A
α >< α |
|
|
|
α>
χ BA ( ω )=
n α )+ χ BA ( el ) δ ω 0 ,
( n α
E α
E α
αα
(3 . 3 . 6 a )
where
ω + i = 1if
ω =0
i
δ ω 0
lim
0 +
0if
ω
=0 ,
and the elastic term χ BA ( el ), which only contributes in the static limit
ω =0,is
E α = E α
χ BA ( el )= β
. (3 . 3 . 6 b )
B
A
B
A
α >< α |
|
|
|
α>n α
αα
We remark that χ BA ( ω )and χ BA ( ω ) are often referred to respectively as
the real and the imaginary part of χ BA ( ω ). This terminology is not valid
in general, but only if the matrix-element products are real, as they are
if, for instance, B = A . The presence of the elastic term in the reactive
response requires some additional consideration. There are no elastic
contributions to K BA ( t ), nor hence to χ BA ( ω ), because n α
0
if E α = E α . Nevertheless, the appearance of an extra contribution at
ω = 0, not obtainable directly from K BA ( t ), is possible because the
energy denominator in (3.3.4) vanishes in the limit
n α
0, when
E α = E α . In order to derive this contribution, we consider the equal-
time correlation function
|
ω + i
|→
( B
B
)( A
A
S BA ( t =0)=
)
=
αα
(3 . 3 . 7 a )
B
A
B
A
α >< α |
|
|
|
α>n α
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