Appendices

Appendix A. Character Tables for selected point groups.

Cs
A'
A"

h
1
-1

E
1
1

C2
A
B
D2
A
B1
B2
B3

E
1
1
1
1

C 2(z)
1
1
-1
-1

C 2(y)
1
-1
1
-1

C 2(x)
1
-1
-1
1

E
1
1
1
1
1
1
1
1

z,Rz
y, Ry
x,Rx

C2
1
-1

C2
1
1
-1
-1

C3v
A1
A2
E

E
1
1
2

2C 3
1
1
-1

E
1
1
1
1
2

C 2(z)
1
1
-1
-1
1
1
-1
-1

2C 4
1
1
-1
-1
0
E
1
1
1
1
C 2(y)
1
-1
1
-1
1
-1
1
-1

E
1
1

C2
1
1
1
1
-2
C2
1
-1
1
-1
C 2(x)
1
-1
-1
1
1
-1
-1
1

i
1
-1

D3
A1
A2
E

v(xz)
1
-1
1
-1
3v
1
-1
0

E
1
1
2

2C 3
1
1
-1

v(yz)
1
-1
-1
1

2d
1
-1
-1
1
0
h
1
-1
-1
1

i
1
1
-1
-1
i
1
1
1
1
-1
-1
-1
-1

(xy)
1
1
-1
-1
-1
-1
1
1

3C 2
1
-1
0

x2+y 2, z2
z,R z
(x,y);(Rx,Ry)

(xz,yz);
(x2-y2,xy)

x2,y 2,z2
xy
xz
yz

z
Rz
x,Ry
y,Rx

x2+y 2, z2

z
Rz
(x,y), (Rx,Ry)

2v
1
-1
1
-1
0

x2,y 2,z2,xy,xz,yz

R x,Ry,Rz
x,y,z

x2+y 2,z2
yz,xz

z,R z
x,y,R x,Ry

x2,y 2,z2, xy
xy
xz
yz

E
1
1
1
1

C2h
Ag
Bg
Au
Bu
D2h
Ag
B 1g
B 2g
B 3g
Au
B 1u
B 2u
B 3u

E
1
1

C2v
A1
A2
B1
B2

C4v
A1
A2
B1
B2
E

Ci
Ag
Au

x2,y 2,z2,xy
yz,xz

x,y,R z
z,R x,Ry

(x2-y2,xy), (xz,yz)

x2+y 2, z2

z
Rz

(x,y) (R x,Ry)

Rz
R x, R y
z
x, y
(xz)
1
-1
1
-1
-1
1
-1
1

x2-y2
xy
(xz,yz)

x2,y 2, z2, xy
xz, yz

(yz)
1
-1
-1
1
-1
1
1
-1

Rz
Ry
Rx

x2, y2,z2
xy
xz
yz

z
y
x

A-1

Appendices

D3h
A1'
A2'
E'
A1"
A2"
E"
D4h
A1g
A2g
B 1g
B 2g
Eg
A1u
A2u
B 1u
B 2u
Eu

E
1
1
2
1
1
2

E
1
1
1
1
2
1
1
1
1
2
D5h
A1'
A2'
E1'
E2'
A1"
A2"
E1"
E2"
D6h
A1g
A2g
B 1g
B 2g
E1g
E2g
A1u
A2u
B 1u
B 2u
E1u
E2u
D2d
A1
A2
B1
B2
E

2C 3
1
1
-1
1
1
-1

2C 4
1
1
-1
-1
0
1
1
-1
-1
0
E
1
1
2
2
1
1
2
2

C2
1
1
1
1
-2
1
1
1
1
-2
2C 5
1
1
2cos72o
2cos144o
1
1
2cos72o
2cos144o

E
1
1
1
1
2
2
1
1
1
1
2
2

2C 6
1
1
-1
-1
1
-1
1
1
-1
-1
1
-1
E
1
1
1
1
2

2C 3
1
1
1
1
-1
-1
1
1
1
1
-1
-1
2S 4
1
1
-1
-1
0

h
1
1
2
-1
-1
-2

3C 2
1
-1
0
1
-1
0
2C 2'
1
-1
1
-1
0
1
-1
1
-1
0

2S 3
1
1
-1
-1
-1
1

2C 2"
1
-1
-1
1
0
1
-1
-1
1
0

3v
1
-1
0
-1
1
0

i
1
1
1
1
2
-1
-1
-1
-1
-2

x2+y 2, z2
Rz
(x,y)

(x2-y2, xy)

z
(Rx,Ry)

(xz,yz)

h
1
1
1
1
-2
-1
-1
-1
-1
2

2S 4
1
1
-1
-1
0
-1
-1
1
1
0

2C 52
1
1
2cos144o
2cos72o
1
1
2cos144o
2cos72o

5C 2
1
-1
0
0
1
-1
0
0

h
1
1
2
2
-1
-1
-2
-2

2S 5
1
1
2cos72o
2cos144o
-1
-1
-2cos72 o
-2cos144 o

C2
1
1
-1
-1
-2
2
1
1
-1
-1
-2
2

3C 2"
1
-1
-1
1
0
0
1
-1
-1
1
0
0

i
1
1
1
1
2
2
-1
-1
-1
-1
-2
-2

2S 3
1
1
-1
-1
1
-1
-1
-1
1
1
-1
1

C2
1
1
1
1
-2

3C 2'
1
-1
1
-1
0
0
1
-1
1
-1
0
0
2C 2'
1
-1
1
-1
0

2d
1
-1
-1
1
0

2S 6
1
1
1
1
-1
-1
-1
-1
-1
-1
1
1

2v
1
-1
1
-1
0
-1
1
-1
1
0

2d
1
-1
-1
1
0
-1
1
1
-1
0

2S 53
1
1
2cos144o
2cos72o
-1
-1
-2cos144 o
-2cos72 o
h
1
1
-1
-1
-2
2
-1
-1
1
1
2
-2

3d
1
-1
1
-1
0
0
-1
1
-1
1
0
0

x2+y 2, z2
Rz

x2-y2
xy
(xz, yz)

(Rx, R y)
z

(x,y)
5v
1
-1
0
0
-1
1
0
0
3v
1
-1
-1
1
0
0
-1
1
1
-1
0
0

x2+y 2, z2
Rz
(x,y)
(x2-y2, xy)
z
(Rx, R y)

(xz, yz)

x2+y 2, z2
Rz

(Rx,Ry)

x2-y2
xy
(xz,yz)

(x,y)

x2+y 2, z2
Rz
z
(x,y); (Rx,Ry)

x2-y2
xy
(xz,yz)

A-2

Appendices

D3d
A1g
A2g
Eg
A1u
A2u
Eu

Oh
A1g
A2g
Eg
T1g
T2g
A1u
A2u
Eu
T1u
T2u

E
1
1
2
1
1
2

Td
A1
A2
E
T1
T2

E
1
1
2
3
3

E
1
1
2
3
3
1
1
2
3
3

8C 3
1
1
-1
0
0
1
1
-1
0
0

2C 3
1
1
-1
1
1
-1

3C 2
1
-1
0
1
-1
0

i
1
1
2
-1
-1
-2

2S 6
1
1
-1
-1
-1
1

3d
1
-1
0
-1
1
0

S4
A
B
E

E
1
1
1

S4
1
-1
i

C2
1
1
-1

S 43
1
-1
-(_ i)

8C 3
1
1
-1
0
0

3C 2
1
1
2
-1
-1

6S 4
1
-1
0
1
-1

6d
1
-1
0
-1
1

6C 2
1
-1
0
-1
1
1
-1
0
-1
1

6C 4
1
-1
0
1
-1
1
-1
0
1
-1

3C 2
(=C 42)
1
1
2
-1
-1
1
1
2
-1
-1

i
1
1
2
3
3
-1
-1
-2
-3
-3

6S 4
1
-1
0
1
-1
-1
1
0
-1
1

x2+y 2, z2
Rz
(Rx,Ry)

(x2-y2,xy);(xz,yz)

z
(x,y)

Rz
z
(x,y); (Rx,Ry)

x2+y 2, z2
x2-y2, xy
(xz,yz)

x2+y 2+z2
(2z2-x2-y2, x2-y2)
(Rx, R y,Rz )
(x,y,z)

8S 6
1
1
-1
0
0
-1
-1
1
0
0

3h
1
1
2
-1
-1
-1
-1
-2
1
1

(xz,yz.xy)

6d
1
-1
0
-1
1
-1
1
0
1
-1

x2+y 2+z2
(2z2-x2-y2,x 2-y2)
(Rx,Ry,Rz )
(xz,yz,xy)

(x,y,z)

A-3