Self‐consistent‐field iterative transfer perturbation method and its application to the interaction between a polymer and a small molecule
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.455221
Reference17 articles.
1. Self‐Consistent Field Theory for the Electronic Structure of Polymers
2. Self-Consistent-Field Tight-Binding Treatment of Polymers. I. Infinite Three-Dimensional Case
3. Perturbation theoretical investigation of electron correlation effects in infinite metallic and semiconducting polymers
4. Bond alternation in infinite polyene: Peierls distortion reduced by electron correlation
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1. An analytical Hückel‐type approach to the relationship between Peierls instability in polyenes and interchain interaction;The Journal of Chemical Physics;1995-12-08
2. Electronic structures of large, extended, nonperiodic systems by using the elongation method: Model calculations for the cluster series of a polymer and the molecular stacking on a surface;International Journal of Quantum Chemistry;1995-05-05
3. Calculations of the electronic structure of various aperiodic polymers by an elongation method;International Journal of Quantum Chemistry;1994-10-05
4. A novel molecular orbital method for the calculations of polymer systems with local aperiodic part: The combination of the elongation method with the supercell method;The Journal of Chemical Physics;1994-02
5. Stationary conditions of the electronic structures against the extension of molecular systems and their application to the elongation method;The Journal of Chemical Physics;1993-01
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