Molecular multipoles and (hyper)polarizabilities from the Buckingham expansion: revisited
Houxian Chen,Menglin Liu,Tianying Yan
Table 3.
The traceless quadrupole–quadrupole polarizability of CO
2
in atomic units (
a
0
5
).
CCSD(T)
a
MP4SDQ
b
CCSD(T)
c
CCSD(T)
d
C
zz
,
zz
e
80.878
81.079
80.94
81.14
C
xx
,
xx
f
34.082
33.021
34.13
33.97
C
xz
,
xz
g
53.506
54.039
54.81
53.88
$\bar{C}$
h
78.158
77.757
79.25
78.39