Advances in Physical Chemistry

Review Article

Potential Energy Surfaces Using Algebraic Methods Based on Unitary Groups

Table 5

Force constants derived from the spectroscopic parameters provided by Fit 3.
Parameter This work [62] Ab initio [140]
𝐹 1 1 ( a J Å − 2 ) 9.0439.052
𝐹 2 2 ( a J Å − 2 ) 0.0979  
𝐹 3 3 ( a J Å − 2 ) 7.0187.018
𝐹 4 4 ( a J Å − 2 ) 0.24390.52
𝐹 1 1 1 1 ( a J Å − 4 ) 499.46100.359
𝐹 2 2 2 2 ( a J Å − 4 ) 0.0428  
𝐹 3 𝑎 3 𝑎 3 𝑎 3 𝑎 ( a J Å − 4 ) 168.24127.364
𝐹 4 𝑎 4 𝑎 4 𝑎 4 𝑎 ( a J Å − 4 ) 0.29251.090
𝐹 1 1 2 2 ( a J Å − 4 ) − 0 . 9 3 4 5  
𝐹 1 1 3 𝑎 3 𝑎 ( a J Å − 4 ) 3 1 7 . 6 5 89.376
𝐹 1 1 4 𝑎 4 𝑎 ( a J Å − 4 ) − 0 . 0 2 5 9 2.225
𝐹 2 2 3 𝑎 3 𝑎 ( a J Å − 4 ) − 0 . 8 4 3 2  
𝐹 2 2 4 𝑎 4 𝑎 ( a J Å − 4 ) − 0 . 0 0 2 3  
𝐹 3 𝑎 3 𝑎 4 𝑏 4 𝑏 ( a J Å − 4 ) − 0 . 7 4 8 −0.305
𝐹 3 𝑎 4 𝑎 4 𝑎 4 𝑎 ( a J Å − 4 ) − 1 . 3 3 5 1.820