Parallel methods for high-dimensional quantum dynamics

DOI10.1016/J.CPC.2009.10.016MaRDI QIDQ615077zbMATH OpenOpenAlexFDO

Authors Xiao-Gang Wang, Tucker jun. Carrington

Publication date 5 January 2011

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

Full work available at URL https://doi.org/10.1016/j.cpc.2009.10.016

zbMATH Keywords

Lanczosparallelizationquantum dynamics

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) (2)-body potential quantum scattering theory (81U05)

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Cites work

• A Fourier method solution for the time dependent Schrödinger equation as a tool in molecular dynamics
• An OpenMP/MPI approach to the parallelization of iterative four-atom quantum mechanics
• High-dimensional quantum dynamics of molecules on surfaces: A massively parallel implementation
• Parallel computing in chemical physics. Thematic issue
• Parallel fast Fourier transforms for electronic structure calculations
• Parallel implementation of a pseudo-spectral calculation of molecular energy levels: Application to the water dimer \((H_2O)_2\)
• Parallel strategies for four-atom quantum dynamics calculations

Cited in

(7)

• High-dimensional quantum dynamics of molecules on surfaces: A massively parallel implementation
• Parallel strategies for four-atom quantum dynamics calculations
• Parallel implementation of a pseudo-spectral calculation of molecular energy levels: Application to the water dimer \((H_2O)_2\)
• Parallelization of the R-matrix propagation method for the study of intense-laser-driven semiconductor superlattices
• Modeling complex quantum dynamics: evolution of numerical algorithms in the HPC context
• scientific article; zbMATH DE number 1729270 (Why is no real title available?)
• scientific article; zbMATH DE number 833674 (Why is no real title available?)

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