Rotation-vibration calculations using massively parallel computers

DOI10.1016/S0010-4655(97)00125-2zbMath0930.65106WikidataQ57188305 ScholiaQ57188305MaRDI QIDQ1299635

Jonathan Tennyson, C. J. Noble, Hamse Y. Mussa, R. J. Allan

Publication date: 1 February 2000

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

zbMATH Keywords

rotation; parallel computation; vibration; matrix diagonalization; discrete variable representation; three-atomic molecules

Mathematics Subject Classification ID

35Q40: PDEs in connection with quantum mechanics

65M60: Finite element, Rayleigh-Ritz and Galerkin methods for initial value and initial-boundary value problems involving PDEs

65Y05: Parallel numerical computation

65L05: Numerical methods for initial value problems involving ordinary differential equations

81V45: Atomic physics

Uses Software

• NAG
• ARPACK
• nag
• DVR3D
• PeIGS

Cites Work

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