High-dimensional quantum dynamics of molecules on surfaces: A massively parallel implementation
From MaRDI portal
Publication:1348043
DOI10.1016/S0010-4655(01)00445-3zbMath0990.81022MaRDI QIDQ1348043
Publication date: 15 May 2002
Published in: Computer Physics Communications (Search for Journal in Brave)
photodesorption; quantum dynamical wave packet calculations; speedup analysis of the timing and scaling properties; Split and Chebyshev schemes
81Q05: Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics
81-04: Software, source code, etc. for problems pertaining to quantum theory
81V55: Molecular physics
Related Items
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
