Molecular multipoles and (hyper)polarizabilities from the Buckingham expansion: revisited
Houxian Chen,Menglin Liu,Tianying Yan
Table 1.
The dipole polarizability of CO
2
in atomic units (
a
0
3
).
CCSD(T)
a
MP4SDQ
b
CCSD(T)
c
CCSD(T)
d
Experiments
α
zz
26.740
27.140
27.07
26.8184
27.2408
e
, 27.3056
f
, 27.2909
g
α
xx
h
12.852
12.869
12.99
12.8966
13.0018
e
, 13.0162
f
, 13.0379
g
$\bar{\alpha }$
i
17.481
17.626
17.69
17.5372
17.7481
e
, 17.7793
f
, 17.7889
g
Δ
α
j
13.887
14.271
14.08
13.9217
14.2390
e
, 14.2894
f
, 14.2530
g