Glossary
e
Charge of electron (1e = 1.60217733 × 10
−19 C)
a 0
Bohr radius (1a 0 = 5.29177249 × 10
−11 m)
E h
Energy unit hartree
a
l a
Dipole moment
a , ea 0
H ab
Quadrupole moment, ea
2
0
X abc
Octopole moment, ea
3
0
U abcd
Hexadecapole moment, ea
4
0
N abcde
2
5
-pole moment, ea
5
0
a ab
Dipole polarizability
a , e
2 a
2
0 E
À1
h
b abc
First hyperpolarizability
a , e
3 a
3
0 E
À2
h
c abcd
Second hyperpolarizability
a , e
4 a
4
0 E
À3
h
A a;bc
Dipole-quadrupole polarizability
E a;bcd
Dipole-octopole polarizability, e
2 a
4
0 E
À1
h
B ab;cd
Dipole-dipole-quadrupole polarizability, e
3 a
4
0 E
À2
h
C ab;cd
Quadrupole-quadrupole polarizability, e
2 a
4
0 E
À1
h
M ab;cde
Dipole-dipole-octupole polarizability, e
3 a
5
0 E
À2
h
G ab;cde/
Dipole-dipole-hexadecapole polarizability, e
3 a
6
0 E
À2
h
D a;bcde
Dipole-hexadecapole polarizability, e
2 a
5
0 E
À1
h
N abc;de
Dipole-dipole-dipole-quadrupole polarizability, e
4 a
5
0 E
À3
h
P abc;de/
Dipole-dipole-dipole-octupole polarizability, e
4 a
6
0 E
À3
h
a Unit conversions used in the book for some quantities (see also, for example, David P. Shelton,
Julia E. Rice, Measurements and Calculations of the Hyperpolarkabilities of Atoms and Small
Molecules in the Gas Phase, Chem. Rev., 1994, 94, No. 1, 3–29):
for energy—1 E h (or 1 a.u.) = 4.35974434 × 10
−18 J = 627.509181 kcal mol
−1 = 219
474.6307 cm
−1
;
for dipole moment—1. a.u. = 2.541 75 Debye (D) (1 D = 10
−18 esu cm) = 8.478 358 ×
10
−30 C m ;
for polarizability—1 a.u. = 0.148 19 × 10
−24 cm
3
(or 0.148 19 Å
3
) = 1.648 778 ×
10
−41 C
2 m
2 J
−1
;
for first hyperpolarizability—1 a. u. = 3.206 361 × 10
−53 C
3 m
3 J
−2
;
for second hyperpolarizability—1 a. u. = 0.623 537 7 × 10
−64 C
4 m
4 J
−3
.
© The Author(s) 2017
V.N. Cherepanov et al., Interaction-induced Electric Properties of van der Waals Complexes,
SpringerBriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters,
DOI 10.1007/978-3-319-49032-8
109