Computation of rovibrational eigenvalues of van der Waals molecules on a CRAY T3D

DOI10.1006/JCPH.1997.5819zbMath0894.65053OpenAlexW2034954938MaRDI QIDQ1383010

Prakashan P. Korombath, Danny C. Sorensen, Xudong T. Wu, Edward F. Hayes

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

zbMATH Keywords

performancealgorithmsHamiltonianparallel computationscalabilitydiscrete variable representationCRAY T3Drovibrational eigenvaluesvan der Waals Molecules

Mathematics Subject Classification ID

Estimates of eigenvalues in context of PDEs (35P15) PDEs in connection with quantum mechanics (35Q40) Parallel numerical computation (65Y05) Statistical mechanics of liquids (82D15) Molecular physics (81V55) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)

Uses Software

• eigs

Cites Work

• Unnamed Item
• Scalable algorithms for three-dimensional reactive scattering: Evaluation of a new algorithm for obtaining surface functions
• Chebyshev Acceleration Techniques for Solving Nonsymmetric Eigenvalue Problems
• Implicit Application of Polynomial Filters in a k-Step Arnoldi Method

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