Advances in Physical Chemistry

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 ——