Electronic structure and polarizabilities of icosahedral fullerenes: A Pariser–Parr–Pople approach
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1327266
Reference15 articles.
1. Electronic structure and bonding in icosahedral C60
2. Electronic structure ofC60within the tight-binding approximation
3. Electronic structure of single- and multiple-shell carbon fullerenes
4. Analytical application of the recursion and moments methods to the electronic structure ofC60: Exact solution for the π and σ states
5. Polarization effects in C60 fullerene complexes of alkali ions
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1. Size-dependent polarizabilities and van der Waals dispersion coefficients of fullerenes from large-scale complex polarization propagator calculations;The Journal of Chemical Physics;2021-02-21
2. Polarizabilities and van der WaalsC6coefficients of fullerenes from an atomistic electrodynamics model: Anomalous scaling with number of carbon atoms;The Journal of Chemical Physics;2016-07-14
3. Polarization response of clathrate hydrates capsulated with guest molecules;The Journal of Chemical Physics;2016-05-28
4. Robust and Efficient Auxiliary Density Perturbation Theory Calculations;Journal of Chemical Theory and Computation;2015-03-19
5. van der Waals interactions are critical in Car-Parrinello molecular dynamics simulations of porphyrin-fullerene dyads;Journal of Computational Chemistry;2015-01-08
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