Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: The total energies per unit cell of both the undistorted and the Peierls-distorted polyacene polymers are computed from the respective HF/311G **  and MP2/6-311G **  finite-cluster data using 40 different extrapolation schemes. The benchmark calculations, which aim at assessing the efficiency of extrapolation methods, clearly show that the best procedure for obtaining rapidly converging bulk properties should involve computation of the energy differences, follod by rational extrapolation techniques such Wynn's ρ algorithm or its iteration, both with the interpolation points x n =(n+1) 2 , and closely related extrapolation methods, or Wynn's e algorithm and its close relative, Aitken's iterated Δ 2  algorithm
['Jerzy Cioslowski', 'Ernst Joachim Weniger']
I am writing a research paper on a idea Bulk properties from finite cluster calculations. I am writing a research paper on a idea VIII: benchmark calculations of the efficiency of extrapolation methods for the HF and MP2 energies of polyacenes
[{"from": "human", "value": "I am writing a research paper on a idea Bulk properties from finite cluster calculations. I am writing a research paper on a idea VIII: benchmark calculations of the efficiency of extrapolation methods for the HF and MP2 energies of polyacenes"}, {"from": "gpt", "value": "Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: The total energies per unit cell of both the undistorted and the Peierls-distorted polyacene polymers are computed from the respective HF/311G **  and MP2/6-311G **  finite-cluster data using 40 different extrapolation schemes. The benchmark calculations, which aim at assessing the efficiency of extrapolation methods, clearly show that the best procedure for obtaining rapidly converging bulk properties should involve computation of the energy differences, follod by rational extrapolation techniques such Wynn's \u03c1 algorithm or its iteration, both with the interpolation points x n =(n+1) 2 , and closely related extrapolation methods, or Wynn's e algorithm and its close relative, Aitken's iterated \u0394 2  algorithm"}]