Molecular multipoles and (hyper)polarizabilities from the Buckingham expansion: revisited
Houxian Chen,Menglin Liu,Tianying Yan
Table 2.
The traceless quadrupole of CO
2
in atomic units (
e
·
a
0
2
).
CCSD(T)
a
MP4SDQ
b
CCSD(T)
c
CCSD(T)
d
Experiments
Θ
zz
i
−3.163
−3.239
−3.19
−3.17
−3.0482
e
, −3.1873
f
, −3.1806
g
, −3.1895
h