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Extrapolation methods for improving the convergence of oligomer calculations to the infinite chain limit of quasi-one-dimensional stereoregular polymers

机译：用于将低聚物计算的收敛性提高到准一维立体规则聚合物的无限链极限的外推方法

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Weniger E.J; Kirtman B;
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年度 2003
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1. Calculation of longitudinal polarizability and second hyperpolarizability of polyacetylene with the coupled perturbed Hartree-Fock/Kohn-Sham scheme: Where it is shown how finite oligomer chains tend to the infinite periodic polymer [J] . Lacivita V., Rrat M., Orlando R., The Journal of Chemical Physics . 2012,第11期

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2. Simple Extrapolation Method To Predict the Electronic Structure of Conjugated Polymers from Calculations on Oligomers [J] . Larsen Ross E. The journal of physical chemistry, C. Nanomaterials and interfaces . 2016,第18期

机译：通过低聚物计算预测共轭聚合物电子结构的简单外推方法
3. Extrapolation of short-chain oligomers melting temperatures at infinite molecular weight [J] . Carlier V., Legras R., Blundell DJ., Journal of Polymer Science, Part B. Polymer Physics . 1998,第14期

机译：无限分子量下短链低聚物熔融温度的外推
4. Band Structure of Polymer Extracted from Oligomer Calculations by Elongation Method and Its Applications to Nanosystems [C] . Anna Pomogaeva, Michael Springborg, Bernard Kirtman, International Conference of Computational Methods in Sciences and Engineering . 2014

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5. Prediction and Analysis of Stochastic Convergence in the Standard and Extrapolated Power Methods Applied to Monte Carlo Fission Source Iterations [D] . Toth, Bryan Elmer 2018

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6. Application of a General Computer Algorithm Based on the Group-Additivity Method for the Calculation of Two Molecular Descriptors at Both Ends of Dilution: Liquid Viscosity and Activity Coefficient in Water at Infinite Dilution [O] . Rudolf Naef, William E. Acree 2018

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7. Extrapolation Methods for Improving the Convergence of Oligomer Calculations to the Infinite Chain Limit of Quasi-Onedimensional Stereoregular Polymers [O] . Weniger, Ernst Joachim, Kirtman, Bernard 2000

机译：提高低聚物收敛性的外推方法拟对称的无限链极限的计算立体规则聚合物
8. Accelerated Convergence in the Simulation of Countably Infinite State Markov Chains [R] . Fishman, G. S. 1981

机译：可数无限状态马氏链模拟的加速收敛性

Extrapolation methods for improving the convergence of oligomer calculations to the infinite chain limit of quasi-one-dimensional stereoregular polymers

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