Efficient calculation of the exchange in the Fourier representation of HF-LCAO-CO equations for 1D periodic systems
Author:
Funder
FNRS
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.22104/fullpdf
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1. Electronic structure of conducting polymers: Limitations of oligomer extrapolation approximations and effects of heteroatoms
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5. Fourier representation method for electronic structures of linear polymers
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1. Fourier Space Uncoupled Hartree–Fock Polarizabilities of One-Dimensionally Periodic Systems. Polyethylene and Polysilane Revisited;Zeitschrift für Physikalische Chemie;2016-02-08
2. The Fourier Space Restricted Hartree–Fock Method for the Electronic Structure Calculation of One-Dimensionally Periodic Systems;Advances in Quantum Chemistry;2015
3. The Fourier space restricted Hartree-Fock method for the electronic structure calculation of linear poly(tetrafluoroethylene);Science China Chemistry;2014-08-28
4. Long ranged interactions in computer simulations and for quasi-2D systems;Physics Reports;2011-03
5. Ewald methods for inverse power-law interactions in tridimensional and quasi-two-dimensional systems;Journal of Physics A: Mathematical and Theoretical;2010-09-30
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