Vibrational eigenstates of four-atom molecules: A parallel strategy employing the implicitly restarted Lanczos method
DOI10.1016/S0010-4655(98)00002-2zbMATH Open0930.65125WikidataQ127359846 ScholiaQ127359846MaRDI QIDQ1299580FDOQ1299580
Authors: V. Pereyra 
Publication date: 25 October 1999
Published in: Computer Physics Communications (Search for Journal in Brave)
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parallel computationsymmetric eigenvalue problemsfour-atom moleculesHamiltonian matrix-vector productsimplicitly restarted Lanczos methodvibrational eigenstates
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) Atomic physics (81V45)
Cited In (4)
- A method for the determination of the eigenvalues of a very large matrix: Application to vibrational energy levels
- Large-scale normal coordinate analysis for molecular structures
- High-dimensional quantum dynamics of molecules on surfaces: A massively parallel implementation
- The implicitly restarted multi-symplectic block-Lanczos method for large-scale Hermitian quaternion matrix eigenvalue problem and applications
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