High-dimensional quantum dynamics of molecules on surfaces: A massively parallel implementation

DOI10.1016/S0010-4655(01)00445-3zbMath0990.81022MaRDI QIDQ1348043

V. Pereyra

Publication date: 15 May 2002

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

zbMATH Keywords

photodesorptionquantum dynamical wave packet calculationsspeedup analysis of the timing and scaling propertiesSplit and Chebyshev schemes

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Software, source code, etc. for problems pertaining to quantum theory (81-04) Molecular physics (81V55)

Related Items (2)

Parallel methods for high-dimensional quantum dynamics ⋮ An OpenMP/MPI approach to the parallelization of iterative four-atom quantum mechanics

Cites Work

• Unnamed Item
• Unnamed Item
• A comparison of different propagation schemes for the time dependent Schrödinger equation
• Solution of the Schrödinger equation by a spectral method
• Vibrational eigenstates of four-atom molecules: A parallel strategy employing the implicitly restarted Lanczos method
• Fully coupled six-dimensional calculations of rovibrational eigenstates of floppy four-atom molecules
• Parallel strategies for four-atom quantum dynamics calculations
• Parallel implementation of a pseudo-spectral calculation of molecular energy levels: Application to the water dimer \((H_2O)_2\)
• Development of Parallel Methods for a $1024$-Processor Hypercube

This page was built for publication: High-dimensional quantum dynamics of molecules on surfaces: A massively parallel implementation