Chemistry Reference
In-Depth Information
Care must be taken in noting that the same operation R may have a
different effect when acting on a different basis. The transformation under
C a
of the d-functions in the xy-plane:
d x 2 -- y 2 / sin 2
d xy / sin 2
u
cos 2
w;
u
sin 2
w
ð 12
:
22 Þ
gives in fact
cos 2
a
sin2
a
C a ð d x 2 -- y 2 d xy Þ¼ð C a d x 2 y 2 C a d xy Þ¼ð d x 2 y 2 d xy Þ
sin2
a
cos 2
a
¼ð d x 2 -- y 2 d xy Þ D d ð C a Þ
ð 12
:
23 Þ
Therefore, it is always necessary to specify the basis which the matrix
representative refers to. These and other matrix representatives of
different symmetry operations may be found elsewhere (Magnasco,
2007).
As a last point on symmetry, it must be recalled that
then RS ¼ T in function space
and R ÞDð S Þ¼Dð T Þ in matrix space
If RS ¼ T in coordinate space
;
ð 12
:
24 Þ
12.2 GROUP THEORETICAL METHODS
Let us now briefly introduce the axioms defining the concept of a
group.
An abstract group G f G 1
; ...; G h g of order h is given by a closed set
of h elements satisfying the following properties:
; G 2
(i) There is a composition law (usually, but not necessarily, the
multiplication law) such that, for G r and G s belonging to G,
G r G s ¼ G t still belongs to G (we then say that a group is a set
closed with respect to symbolic multiplication).
(ii) The composition law is associative: ð G r G s Þ G t ¼ G r ð G s G t Þ .
(iii) There is an identity (or neutral) element G m , such that G r G m ¼
G m G r ¼ G r .
(iv) Each element has an inverse G 1
, such that G r G 1
¼ G r G r ¼
r
r
G m .
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