Vibrational eigenstates of four-atom molecules: A parallel strategy employing the implicitly restarted Lanczos method

DOI10.1016/S0010-4655(98)00002-2zbMath0930.65125WikidataQ127359846 ScholiaQ127359846MaRDI QIDQ1299580

V. Pereyra

Publication date: 25 October 1999

Published in: Computer Physics Communications (Search for Journal in Brave)

zbMATH Keywords

parallel computationsymmetric eigenvalue problemsfour-atom moleculesHamiltonian matrix-vector productsimplicitly restarted Lanczos methodvibrational eigenstates

Mathematics Subject Classification ID

Estimates of eigenvalues in context of PDEs (35P15) PDEs in connection with quantum mechanics (35Q40) Parallel numerical computation (65Y05) Atomic physics (81V45) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)

Related Items (2)

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

Uses Software

• ARPACK
• MPI/MPICH

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