Chemistry Reference
In-Depth Information
The normalized cyclic waves are thus given by
1
2 π e ± ikφ
k
=
0.
2.3 The combination of transposition and complex conjugation is called the adjoint
operation, indicated by a dagger. A Hermitian matrix is thus self-adjoint. An
eigenfunction of this matrix, operating in a function space, may be expressed as
a linear combination
and these waves are orthogonal:
k
|
k
=
|
ψ m =
c k |
f k
k
We may arrange the expansion coefficients as a column vector c . This is called
the eigenvector. Its adjoint, c , is then the complex-conjugate row vector. The
corresponding eigenvalue is denoted as E m . Now start by writing the eigenvalue
equation and multiply left and right with the adjoint eigenvector:
H
c
=
E m c
E m c c
Now take the adjoint and use the self-adjoint property of
c
H
c
=
H
:
c
c
= E m c c
H
= E m c c
A comparison of both results shows that the eigenvalue must be equal to its
complex conjugate and hence be real. If
c
H
c
is skew-symmetric, a similar argu-
ment shows that the eigenvalue must be imaginary.
H
3.1 The table is a valid multiplication table of a group that is isomorphic to D 2 .The
element C is the unit element. There are six ways to assign the three twofold
axes to the letters A,B,D .
3.2 Any nonlinear triatomic molecule with three different atoms has only C s sym-
metry, e.g., a water molecule with one hydrogen replaced by deuterium. C 2
symmetry requires a nonplanar tetra-atomic molecule, such as H 2 O 2 .Inthe
free state the dihedral angle of this molecule is almost a right angle (see the
figure). To realize C i symmetry, one needs at least six atoms. Since three atoms
are always coplanar, the smallest molecule with no symmetry at all has at least
four atoms.
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