Numerical simulation of charged fullerene spectrum

DOI10.3846/MMA.2019.017MaRDI QIDQ4959439zbMATH OpenOpenAlexWikidataFDO

Authors Rafael Arutyunyan, Yuri N. Obukhov, P. N. Vabishchevich

Publication date 13 September 2021

Published in Mathematical Modelling and Analysis (Search for Journal in Brave)

Copyright license Creative Commons Attribution 4.0 International

Full work available at URL https://doi.org/10.3846/mma.2019.017

zbMATH Keywords

finite element methodfullereneSchrödinger equationspectral problem

Mathematics Subject Classification ID

Numerical solution of eigenvalue problems involving ordinary differential equations (65L15) Finite element, Rayleigh-Ritz, Galerkin and collocation methods for ordinary differential equations (65L60) Statistical mechanics of nanostructures and nanoparticles (82D80) Mathematical modeling or simulation for problems pertaining to biology (92-10) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

• A Krylov--Schur algorithm for large eigenproblems
• A test package for Sturm-Liouville solvers
• Automated solution of differential equations by the finite element method. The FEniCS book
• scientific article; zbMATH DE number 490142 (Why is no real title available?)
• scientific article; zbMATH DE number 3285978 (Why is no real title available?)
• scientific article; zbMATH DE number 2219859 (Why is no real title available?)
• Matslise 2.0: a Matlab toolbox for Sturm-Liouville computations
• Numerical methods for large eigenvalue problems
• SLEPc
• The Mathematical Theory of Finite Element Methods

Cited in

(1)

• The Hubbard model of fullerene \(\mathrm{C}_{60}\)

Describes a project that uses

Uses Software

• MATSLISE
• SLEPc
• SLDRIVER
• SLTSTPAK
• FEniCS

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