A program for performing exact quantum dynamics calculations using cylindrical polar coordinates: a nanotube application

DOI10.1016/J.CPC.2008.10.016MaRDI QIDQ603382zbMATH OpenOpenAlexFDO

Authors D. Skouteris, Osvaldo Gervasi, Antonio Laganà

Publication date 6 November 2010

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2008.10.016

zbMATH Keywords

\texttt{CYLWAVE}cylindricalnanotubepropagationwavepacket

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Statistical mechanics of nanostructures and nanoparticles (82D80)

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Cites work

• A Fourier method solution for the time dependent Schrödinger equation as a tool in molecular dynamics
• ABC: a quantum reactive scattering program
• Fast Fourier transforms: A tutorial review and a state of the art
• scientific article; zbMATH DE number 707679 (Why is no real title available?)
• scientific article; zbMATH DE number 745267 (Why is no real title available?)
• Solution of the Schrödinger equation by a spectral method
• Solution of the time-dependent Schrödinger equation employing a basis of explicit discrete-coordinate eigenfunctions: Spherical and azimuthal symmetry, adiabaticity, and multiphoton excitation of a rotating Morse oscillator
• Some improvements in practical Fourier analysis and their application to X-ray scattering from liquids

Cited in

(1)

• CYLWAVE

Describes a project that uses

Uses Software

• CHARMM

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