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Advances in Physical Chemistry
Table of Contents
Special Issues
Advances in Physical Chemistry
/
2011
/
Article
/
Tab 7
/
Review Article
Potential Energy Surfaces Using Algebraic Methods Based on Unitary Groups
Table 7
Force constants derived from the spectrocopic parameters given in Table
2
. The suface obtained by Lukka was taken from [
122
], while the
ab initio
surface from [
126
].
Parameter
This work [
65
]
Lukka et al.
Ab initio
𝑓
𝑟
𝑟
(
a
J
Å
−
2
)
2.836
2.841
2.829
𝑓
𝑟
𝑟
′
(
a
J
Å
−
2
)
−
0
.
0
1
0
4
0
−
0
.
0
0
9
9
5
−0.0097
𝑓
𝑟
𝑟
𝑟
𝑟
(
a
J
Å
−
4
)
−51.9074
46.323
54.4
𝑓
𝑟
𝑟
𝑟
𝑟
′
(
a
J
Å
−
4
)
0.2066
—
—
𝑓
𝑟
𝑟
′
𝑟
′
(
a
J
Å
−
4
)
−0.9825
—
—
𝑓
𝑟
𝑟
𝑟
′
𝑟
′
′
(
a
J
Å
−
4
)
0.6596
—
—