Chemistry Reference
In-Depth Information
3. Direct Processes
To compute matrix elements V (1)
and so on, in Eq. (53) with respect to the
α,γ
phonon bath, one can label the state
|
φ
by the numbers of phonons ν k λ =
0 , 1 , 2 ,... in each phonon mode k λ
|
φ =|
...,ν k λ ,...
⇒|
ν k λ
(162)
In the direct processes, the state
by creation or annihilation
of one phonon, according to Eq. (153). We will make use of the phonon matrix
elements
|
φ
differs from
|
φ
M
( k )
=
ν k λ ±
1
|
δ
φ |
ν k λ
(163)
±
and their conjugates. From Eq. (153), one obtains
1
ν k λ
e k λ ] e i k · r
ω k
1
2
[ i k
×
2 MN
M
( k )
=
a k λ
ν k λ
e k λ ] e i k · r
ω k
1
2
[ i k
×
ν k λ
2 MN
=
ν k λ
1
e k λ ] e i k · r
ω k
1
2
2 MN
[
i k
×
a k λ
M
( k )
=
ν k λ
e k λ ] e i k · r
ω k
1
2
2 MN
[
i k
×
ν k λ
=
ν k λ +
1
e k λ ] e i k · r
ω k
1
2
[
i k
×
2 MN
a k λ
M
( k )
=
ν k λ
+
ν k λ +
e k λ ] e i k · r
ω k
1
2
[
i k
×
2 MN
=
1
ν k λ
1
e k λ ] e i k · r
ω k
1
2
[ i k
×
2 MN
M +
( k )
=
a k λ
ν k λ +
e k λ ] e i k · r
ω k
ν k λ +
1
2
[ i k
×
2 MN
=
1
(164)
 
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