Rotation-vibration calculations using massively parallel computers

DOI10.1016/S0010-4655(97)00125-2zbMath0930.65106OpenAlexW2031039481WikidataQ57188305 ScholiaQ57188305MaRDI QIDQ1299635

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

Publication date: 1 February 2000

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

Full work available at URL: https://doi.org/10.1016/s0010-4655(97)00125-2

zbMATH Keywords

rotationparallel computationvibrationmatrix diagonalizationdiscrete variable representationthree-atomic molecules

Mathematics Subject Classification ID

PDEs in connection with quantum mechanics (35Q40) Finite element, Rayleigh-Ritz and Galerkin methods for initial value and initial-boundary value problems involving PDEs (65M60) Parallel numerical computation (65Y05) Numerical methods for initial value problems involving ordinary differential equations (65L05) Atomic physics (81V45)

Uses Software

• NAG
• ARPACK
• nag
• DVR3D
• PeIGS

Cites Work

• Unnamed Item

This page was built for publication: Rotation-vibration calculations using massively parallel computers