Heuristic computation of the rovibrational G matrix in optimized molecule-fixed axes. \texttt{Gmat 2.1}

DOI10.1016/J.CPC.2010.04.016MaRDI QIDQ547063zbMATH OpenOpenAlexFDO

Authors María Eugenia Castro, Alfonso Niño, Camelia Muñoz-Caro

Publication date 30 June 2011

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

Full work available at URL https://doi.org/10.1016/j.cpc.2010.04.016

zbMATH Keywords

optimal Euler anglesrotation matrixrovibrational \(\mathbf {G}\) matrixunambiguous molecule-fixed axes

Mathematics Subject Classification ID

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

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Cites work

• A metaheuristic approach to the optimal definition of molecule-fixed axes in rovibrational Hamiltonians
• Gmat. A software tool for the computation of the rovibrational \(G\) matrix
• scientific article; zbMATH DE number 3773010 (Why is no real title available?)
• Numerical recipes. The art of scientific computing.
• Optimization by simulated annealing

Cited in

(2)

• Gmat. A software tool for the computation of the rovibrational \(G\) matrix
• A metaheuristic approach to the optimal definition of molecule-fixed axes in rovibrational Hamiltonians

Describes a project that uses

Uses Software

• Gmat
• GAUSSIAN

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