High-dimensional quantum dynamics of molecules on surfaces: A massively parallel implementation
DOI10.1016/S0010-4655(01)00445-3zbMATH Open0990.81022MaRDI QIDQ1348043FDOQ1348043
Authors: V. Pereyra 
Publication date: 15 May 2002
Published in: Computer Physics Communications (Search for Journal in Brave)
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Cites Work
- Title not available (Why is that?)
- A comparison of different propagation schemes for the time dependent Schrödinger equation
- Solution of the Schrödinger equation by a spectral method
- Title not available (Why is that?)
- 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
- 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
Cited In (4)
- Time-dependent wave packet calculations on parallel computers: A new and efficient algorithm for evaluating \(\overline{H}\psi\)
- Parallel methods for high-dimensional quantum dynamics
- An OpenMP/MPI approach to the parallelization of iterative four-atom quantum mechanics
- Incorporating surface polarization effects into large-scale coarse-grained molecular dynamics simulation
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