Parallel methods for high-dimensional quantum dynamics

DOI10.1016/J.CPC.2009.10.016zbMath1205.81023OpenAlexW2059605547MaRDI QIDQ615077

Tucker jun. Carrington, Xiao-Gang Wang

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

parallelizationquantum dynamicsLanczos

Mathematics Subject Classification ID

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) Computational methods for problems pertaining to quantum theory (81-08) (2)-body potential quantum scattering theory (81U05)

Cites Work

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

This page was built for publication: Parallel methods for high-dimensional quantum dynamics