Parallel implementation of a pseudo-spectral calculation of molecular energy levels: Application to the water dimer \((H_2O)_2\)

DOI10.1016/S0010-4655(99)00518-4zbMath1002.81569MaRDI QIDQ1578173

Claude Leforestier, Alexandra Viel, Philip Eggert

Publication date: 7 January 2003

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

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Related Items (3)

High-dimensional quantum dynamics of molecules on surfaces: A massively parallel implementation ⋮ Parallel methods for high-dimensional quantum dynamics ⋮ An OpenMP/MPI approach to the parallelization of iterative four-atom quantum mechanics

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