Computation of rovibrational eigenvalues of van der Waals molecules on a CRAY T3D
DOI10.1006/JCPH.1997.5819zbMATH Open0894.65053OpenAlexW2034954938MaRDI QIDQ1383010FDOQ1383010
Authors: Xudong T. Wu, Prakashan P. Korombath, Edward F. Hayes, Danny C. Sorensen 
Publication date: 16 August 1998
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1006/jcph.1997.5819
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performancealgorithmsscalabilityparallel computationHamiltoniandiscrete variable representationCRAY T3Drovibrational eigenvaluesvan der Waals Molecules
Parallel numerical computation (65Y05) Estimates of eigenvalues in context of PDEs (35P15) PDEs in connection with quantum mechanics (35Q40) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25) Molecular physics (81V55) Statistical mechanics of liquids (82D15)
Cites Work
- Implicit Application of Polynomial Filters in a k-Step Arnoldi Method
- Title not available (Why is that?)
- Chebyshev Acceleration Techniques for Solving Nonsymmetric Eigenvalue Problems
- Scalable algorithms for three-dimensional reactive scattering: Evaluation of a new algorithm for obtaining surface functions
Cited In (3)
- Ro-vibrational spectroscopy of molecules represented by a Tietz-Hua oscillator potential
- Heuristic computation of the rovibrational \(\mathbf {G}\) matrix in optimized molecule-fixed axes. \texttt{Gmat 2.1}
- Dual vibration configuration interaction (DVCI). An efficient factorization of molecular Hamiltonian for high performance infrared spectrum computation
Uses Software
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