NUMERICAL SIMULATION OF CHARGED FULLERENE SPECTRUM

DOI10.3846/mma.2019.017zbMath1469.92005OpenAlexW2924347234WikidataQ128187783 ScholiaQ128187783MaRDI QIDQ4959439

Yuri N. Obukhov, Rafael Arutyunyan, Petr N. Vabishchevich

Publication date: 13 September 2021

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

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

zbMATH Keywords

finite element methodSchrödinger equationspectral problemfullerene

Mathematics Subject Classification ID

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

Uses Software

• MATSLISE
• SLDRIVER
• SLEPc
• SLTSTPAK
• FEniCS

Cites Work

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• Automated solution of differential equations by the finite element method. The FEniCS book
• A Krylov--Schur Algorithm for Large Eigenproblems
• Numerical Methods for Large Eigenvalue Problems
• SLEPc
• A test package for Sturm-Liouville solvers
• Matslise 2.0
• The Mathematical Theory of Finite Element Methods