Fully coupled six-dimensional calculations of rovibrational eigenstates of floppy four-atom molecules

DOI10.1016/S0010-4655(99)00517-2zbMath1003.81580MaRDI QIDQ1578120

Zlatko Bačić

Publication date: 2 February 2003

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

zbMATH Keywords

6D calculationdiatom-diatom Jacobi coordinatesimplementation on parallel computersvibration-rotation level

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Related Items (1)

High-dimensional quantum dynamics of molecules on surfaces: A massively parallel implementation

Uses Software

• eigs

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